data_1v61_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 1v61 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -118.62 162.76 29.07 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.02 43.01 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 111.043 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.476 ' CG2' ' HB2' ' A' ' 70' ' ' TYR . 9.6 mt -74.55 125.04 33.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.539 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 3.6 tt0 -57.84 139.56 53.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . 86.73 -37.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.594 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 31.3 t-105 -40.52 131.97 2.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 107.997 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -168.54 112.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.26 -78.67 0.08 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -142.41 -72.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -170.27 160.29 7.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.594 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 4.8 tt -94.47 -32.07 4.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.07 -10.83 60.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 25' ' ' LEU . 6.1 t -84.03 -27.39 28.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 110.427 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.411 ' N ' HG23 ' A' ' 24' ' ' THR . 67.9 mt -68.33 -46.84 69.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 158.46 -118.04 0.81 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.469 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 1.2 m-20 -134.6 -166.04 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 109.359 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.54 HG21 ' CE1' ' A' ' 52' ' ' PHE . 74.6 t -118.44 93.9 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 53' ' ' SER . 61.0 mt -48.46 -78.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 113' ' ' ASP . 0.3 OUTLIER -124.14 123.32 40.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.451 ' CE ' HD22 ' A' ' 50' ' ' LEU . 35.8 ttm -124.0 127.46 47.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.6 t -160.83 166.93 27.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.993 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -85.85 108.39 18.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 110.336 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.483 ' HB ' ' CG1' ' A' ' 106' ' ' VAL . 11.3 m -105.49 177.92 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.413 HG12 ' CD2' ' A' ' 107' ' ' HIS . 1.4 t -131.7 107.22 12.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.455 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 3.4 tmm? -128.15 121.17 28.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.43 ' CB ' ' HB2' ' A' ' 45' ' ' GLU . 9.8 tm0? -129.11 -72.74 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -177.25 -170.94 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.627 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.25 71.24 2.73 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.143 . . . . 0.0 111.052 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 60.2 111.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 0.78 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.9 t -147.1 -74.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 108.305 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.423 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 5.7 mt-10 -123.85 -71.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.423 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 10.3 mm-40 -141.42 -168.52 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.262 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -84.16 -179.47 7.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' A' ' 36' ' ' MET . 1.1 mm-40 -151.17 99.97 2.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.69 139.82 45.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.45 165.68 25.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -107.17 133.63 51.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.489 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 2.0 m-30 -119.04 125.81 50.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.451 HD22 ' CE ' ' A' ' 31' ' ' MET . 0.4 OUTLIER -115.5 110.01 18.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.548 HD22 ' CZ3' ' A' ' 117' ' ' TRP . 6.8 tp -88.45 111.65 22.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.583 ' CE2' HG13 ' A' ' 57' ' ' ILE . 7.7 m-30 -94.68 -4.69 47.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.16 . . . . 0.0 111.042 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER 84.23 -13.66 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.991 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.36 -4.28 7.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.2 p -176.27 154.26 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.372 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.457 HD12 ' CG ' ' A' ' 58' ' ' MET . 1.3 tm? -106.45 98.96 8.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.583 HG13 ' CE2' ' A' ' 52' ' ' PHE . 11.5 mm -81.59 134.81 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.489 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 38.1 mtm -119.04 133.79 55.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.51 ' HB3' ' CD1' ' A' ' 68' ' ' PHE . 4.2 mp -121.38 160.22 24.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.1 t -138.75 152.69 48.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -126.92 62.37 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.483 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -43.02 -52.9 11.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 62' ' ' SER . 18.3 Cg_endo -75.02 -162.64 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.526 1.803 . . . . 0.0 111.004 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.52 -85.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.332 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -134.91 109.8 8.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.3 t 179.71 90.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.94 -166.65 2.68 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.51 ' CD1' ' HB3' ' A' ' 59' ' ' LEU . 7.5 m-85 -128.96 171.15 12.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 0.737 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 20.6 ttt -128.11 118.54 23.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.476 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 23.4 t80 -74.01 123.16 23.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -94.68 -70.59 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -146.75 172.16 27.34 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.459 1.099 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.08 139.03 48.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.766 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.464 HD11 ' CD1' ' A' ' 104' ' ' ILE . 2.5 mt -117.58 115.78 37.23 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.452 ' C ' ' N ' ' A' ' 77' ' ' ALA . 18.2 Cg_endo -75.04 127.11 10.39 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 40.8 mm -41.07 -28.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.244 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.452 ' N ' ' C ' ' A' ' 75' ' ' PRO . . . -70.04 132.07 45.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.97 -15.8 25.02 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.446 ' CE ' ' HB ' ' A' ' 74' ' ' ILE . 3.5 tpp -53.04 153.11 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 36.8 t -138.73 111.53 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.7 t -131.43 119.05 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 83' ' ' ARG . 72.0 m-20 -149.4 41.81 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.463 ' HA ' ' CB ' ' A' ' 94' ' ' PHE . 28.0 ptt180 38.11 37.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.412 ' CD2' ' CD ' ' A' ' 95' ' ' GLU . 2.8 mt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.492 ' O ' ' CG ' ' A' ' 93' ' ' MET . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.492 ' CG ' ' O ' ' A' ' 92' ' ' CYS . 15.5 ptt? 42.57 -167.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.463 ' CB ' ' HA ' ' A' ' 83' ' ' ARG . 17.9 p90 -167.65 157.56 10.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.412 ' CD ' ' CD2' ' A' ' 84' ' ' LEU . 9.6 pt-20 -112.71 166.23 11.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.375 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 52.4 mt -135.85 93.01 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.445 ' CG2' ' HG3' ' A' ' 103' ' ' ARG . 21.9 p -113.94 -175.48 2.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 134.08 60.79 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.55 -170.16 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.963 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 97.5 m -42.56 -63.86 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.361 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.1 p -163.79 63.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 103' ' ' ARG . 1.1 tp10 -124.6 137.58 54.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.445 ' HG3' ' CG2' ' A' ' 97' ' ' THR . 43.6 ttp180 -137.81 119.53 15.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.464 ' CD1' HD11 ' A' ' 74' ' ' ILE . 1.9 mt -96.9 110.44 24.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.0 t -97.67 98.49 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.483 ' CG1' ' HB ' ' A' ' 34' ' ' VAL . 4.6 t -85.03 135.68 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.413 ' CD2' HG12 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -70.46 157.82 37.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.592 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.16 -168.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 108.282 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -160.06 -44.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 72.14 79.48 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 179.68 166.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -20.59 11.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 4.3 m-20 -65.67 -53.16 44.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -50.52 -61.48 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -35.8 12.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -57.75 9.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.548 ' CZ3' HD22 ' A' ' 51' ' ' LEU . 51.5 m95 -47.56 -46.28 27.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 107.95 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.412 ' SD ' ' CG ' ' A' ' 94' ' ' PHE . 94.5 mmm -67.48 -34.61 77.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 122' ' ' ASN . 0.4 OUTLIER -64.91 -53.94 38.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.462 ' OE1' ' CD2' ' A' ' 51' ' ' LEU . 1.9 pt20 -65.55 -57.58 7.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.35 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.417 ' H ' ' CG ' ' A' ' 120' ' ' GLN . 9.9 mt -46.93 -27.06 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.3 OUTLIER -68.22 -54.16 19.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 124' ' ' LEU . 3.9 ptp180 -74.75 -35.16 62.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.478 ' CD1' ' HA ' ' A' ' 53' ' ' SER . 6.2 mt -55.93 -76.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 60.2 p -46.4 -31.07 2.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 95.1 mttt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.306 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' GLU . 13.8 m . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' SER . 5.3 mt-10 -38.98 152.76 0.18 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -164.38 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.475 1.776 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.459 HD11 ' CD2' ' A' ' 59' ' ' LEU . 5.2 mt -96.62 152.54 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.456 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 6.2 tt0 -97.76 127.51 43.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . 81.5 22.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.523 ' CH2' HD13 ' A' ' 22' ' ' ILE . 69.7 t-105 -80.25 129.69 34.68 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -126.38 -179.67 4.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.97 -95.7 1.09 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -164.44 -53.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.444 ' HB2' ' CG2' ' A' ' 24' ' ' THR . 0.4 OUTLIER -160.45 151.26 18.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.523 HD13 ' CH2' ' A' ' 17' ' ' TRP . 4.9 tt -82.33 -20.67 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -74.3 -7.85 54.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.444 ' CG2' ' HB2' ' A' ' 21' ' ' ASP . 29.8 p -80.02 -31.48 39.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.443 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 79.4 mt -73.6 -63.67 1.15 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.15 -152.79 22.53 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -105.22 154.54 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.566 HG21 ' CE1' ' A' ' 52' ' ' PHE . 89.5 t -78.5 96.66 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.482 ' CD1' ' HB3' ' A' ' 53' ' ' SER . 8.0 mt -44.77 -78.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.463 ' N ' ' CG2' ' A' ' 29' ' ' ILE . 84.4 t80 -141.32 119.53 12.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.5 ptm -112.57 146.14 39.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.3 t -161.63 153.42 19.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -73.85 105.41 5.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.1 m -105.41 178.89 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.439 HG21 ' CG ' ' A' ' 46' ' ' GLU . 2.1 t -131.33 111.64 19.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.493 ' HE1' ' CZ ' ' A' ' 49' ' ' PHE . 1.6 tmm? -133.06 119.56 20.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -121.65 -97.69 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -158.55 -51.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.596 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -172.96 -73.8 0.05 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -164.83 101.32 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.6 m -119.51 -71.36 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 108.295 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.448 ' C ' ' CG ' ' A' ' 43' ' ' GLU . 19.5 mt-10 -128.4 -53.44 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.227 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.448 ' CG ' ' C ' ' A' ' 42' ' ' GLU . 4.9 mt-10 -154.18 -176.17 5.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.325 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.401 ' HB2' ' CG1' ' A' ' 35' ' ' VAL . 39.3 pttt -75.63 153.98 36.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 36' ' ' MET . 24.1 tt0 -114.59 104.79 12.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.439 ' CG ' HG21 ' A' ' 35' ' ' VAL . 12.5 mt-10 -80.84 147.98 30.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.64 174.82 12.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -120.56 116.66 25.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.565 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 2.5 m-30 -104.44 121.28 43.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.956 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 mt -108.25 115.06 29.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.567 ' HB2' ' CZ3' ' A' ' 117' ' ' TRP . 10.4 tp -91.8 112.42 24.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.626 ' CE2' HG13 ' A' ' 57' ' ' ILE . 8.9 m-30 -95.25 0.58 54.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.482 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 0.9 OUTLIER 79.36 35.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.001 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.39 -32.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.046 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.416 HG23 ' N ' ' A' ' 56' ' ' LEU . 7.8 p -138.24 149.4 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.517 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 2.4 tm? -107.53 93.45 4.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.626 HG13 ' CE2' ' A' ' 52' ' ' PHE . 5.0 mm -77.03 135.13 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.565 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 12.6 mtm -119.75 127.85 53.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.459 ' CD2' HD11 ' A' ' 14' ' ' ILE . 1.6 mp -119.24 161.18 20.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.4 m -127.72 135.48 50.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -137.34 29.11 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.471 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.2 OUTLIER -39.38 -54.93 3.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.958 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.5 Cg_endo -74.94 144.65 30.74 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.793 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.471 ' C ' ' CG ' ' A' ' 65' ' ' MET . 0.5 OUTLIER -102.11 85.02 2.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.471 ' CG ' ' C ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER 165.32 -29.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 111.007 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.8 m -96.53 165.19 12.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.959 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.45 -147.13 0.7 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.131 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 12.4 m-30 -108.09 144.87 34.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 0.765 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.1 ttt -116.25 131.88 56.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -86.73 126.1 34.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -101.01 -64.31 1.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -149.88 175.21 29.1 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -138.39 138.6 38.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 0.753 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.475 ' CG2' ' HE3' ' A' ' 79' ' ' MET . 4.1 mt -113.04 121.76 37.45 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 125.65 9.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.471 ' HA ' ' CB ' ' A' ' 79' ' ' MET . 10.4 mm -51.63 -26.35 6.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.09 -72.65 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -71.44 -3.66 54.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.435 1.084 . . . . 0.0 110.964 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.475 ' HE3' ' CG2' ' A' ' 74' ' ' ILE . 32.5 ttm -67.72 146.62 53.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.4 t -135.78 108.77 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.408 ' O ' ' CG ' ' A' ' 82' ' ' ASN . 3.8 t -110.77 140.2 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 81' ' ' VAL . 55.7 m-20 -174.04 165.99 4.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.29 11.52 11.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.487 ' CD1' ' HG2' ' A' ' 95' ' ' GLU . 6.4 mp . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 27.8 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.1 ptt? -148.87 -170.07 3.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -148.25 157.86 43.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.496 ' OE2' ' CG2' ' A' ' 97' ' ' THR . 6.4 pt-20 -120.88 139.9 52.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 53.0 mt -107.91 117.55 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.496 ' CG2' ' OE2' ' A' ' 95' ' ' GLU . 46.6 p -126.11 -175.61 3.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.422 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 133.7 69.25 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.46 -173.46 0.43 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.573 0.808 . . . . 0.0 110.004 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.4 t -40.31 -55.59 2.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.412 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 4.5 p -177.55 68.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -130.55 146.05 52.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 103' ' ' ARG . 14.8 ttm105 -133.47 143.76 49.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.448 ' CD1' HD11 ' A' ' 74' ' ' ILE . 2.8 mt -119.03 108.72 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 37.6 t -89.47 98.18 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.1 t -87.48 117.86 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.252 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -74.71 132.22 41.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.559 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 32.1 p -51.72 127.84 21.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 108.27 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -61.45 -61.15 2.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -154.74 -65.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -174.18 -65.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -56.09 -62.33 1.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.05 -59.17 4.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -44.11 -53.57 6.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -48.42 -59.36 3.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.12 -53.59 3.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.567 ' CZ3' ' HB2' ' A' ' 51' ' ' LEU . 60.1 m95 -54.29 -51.05 65.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 108.037 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 99.6 mmm -64.68 -17.81 64.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 111.018 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -79.7 -59.06 2.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.517 ' O ' ' N ' ' A' ' 123' ' ' ARG . 7.0 pt20 -61.05 -56.99 14.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.412 ' O ' ' OG1' ' A' ' 125' ' ' THR . 5.5 mt -49.19 -23.8 1.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.5 OUTLIER -69.49 -29.4 67.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 120' ' ' GLN . 3.9 ptp180 -104.72 -36.34 7.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.347 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.478 HD13 ' CD2' ' A' ' 51' ' ' LEU . 25.1 mt -58.86 -70.93 0.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 126' ' ' LYS . 23.7 p -67.66 -61.33 1.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.443 ' N ' ' OG1' ' A' ' 125' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -60.51 157.27 37.4 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.34 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.32 13.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.48 1.779 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.469 HD11 ' CD2' ' A' ' 59' ' ' LEU . 8.2 mt -80.57 156.14 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -94.39 134.54 36.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.322 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 72.22 25.98 2.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.486 ' CZ2' ' CG1' ' A' ' 22' ' ' ILE . 71.5 t-105 -89.42 98.14 11.59 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -122.86 161.0 24.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.081 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.08 -68.02 0.31 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.102 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -165.81 -174.07 2.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.426 ' CB ' HG21 ' A' ' 24' ' ' THR . 0.2 OUTLIER -69.53 160.94 30.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.486 ' CG1' ' CZ2' ' A' ' 17' ' ' TRP . 9.9 tt -93.76 -34.36 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.231 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.408 ' N ' HG22 ' A' ' 22' ' ' ILE . 4.2 mmmt -59.12 -18.84 39.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.426 HG21 ' CB ' ' A' ' 21' ' ' ASP . 48.3 p -72.98 -30.55 63.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.404 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.7 mt -69.37 -63.12 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 162.37 -137.72 4.99 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.98 160.27 23.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.476 HG22 ' CE1' ' A' ' 52' ' ' PHE . 88.0 t -80.16 102.1 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 53' ' ' SER . 1.4 mp -59.66 -77.45 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.571 ' CD1' ' NE1' ' A' ' 117' ' ' TRP . 1.0 OUTLIER -119.86 122.29 40.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 33.5 ttm -124.17 121.37 34.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.1 p -156.91 145.8 20.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.004 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -72.56 108.07 5.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.441 ' CG2' HG12 ' A' ' 106' ' ' VAL . 9.6 m -105.22 179.15 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.459 HG23 ' CG ' ' A' ' 46' ' ' GLU . 2.3 t -124.97 112.96 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.509 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.9 tmm? -137.72 124.0 20.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.417 ' NE2' ' H ' ' A' ' 38' ' ' HIS . 2.0 tm0? -120.19 169.32 10.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.417 ' H ' ' NE2' ' A' ' 37' ' ' GLN . 31.0 m-70 -75.53 -76.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.596 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -141.96 -74.06 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -130.05 126.32 37.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -160.09 -168.15 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 108.271 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -44.21 -91.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -133.93 -169.6 2.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -42.68 141.34 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 36' ' ' MET . 3.3 tp10 -105.74 95.96 6.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.459 ' CG ' HG23 ' A' ' 35' ' ' VAL . 18.3 mt-10 -75.63 147.19 39.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.412 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 0.0 OUTLIER -162.5 175.95 10.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -118.36 129.71 55.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.457 ' CG ' HD21 ' A' ' 56' ' ' LEU . 3.1 m-30 -117.22 124.28 48.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.464 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -110.59 110.44 21.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.564 HD23 ' CZ3' ' A' ' 117' ' ' TRP . 7.2 tp -87.88 112.53 22.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.629 ' CE2' HG13 ' A' ' 57' ' ' ILE . 9.0 m-30 -100.2 8.34 43.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.511 ' HA ' ' CD1' ' A' ' 124' ' ' LEU . 9.3 t 65.45 41.11 4.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 178.38 -31.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.426 HG21 ' N ' ' A' ' 56' ' ' LEU . 5.1 p -148.07 142.18 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.457 HD21 ' CG ' ' A' ' 49' ' ' PHE . 1.8 tm? -100.02 100.24 11.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.629 HG13 ' CE2' ' A' ' 52' ' ' PHE . 5.1 mm -84.19 132.06 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.462 ' N ' ' SD ' ' A' ' 58' ' ' MET . 2.3 mpp? -109.12 133.12 53.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.469 ' CD2' HD11 ' A' ' 14' ' ' ILE . 6.0 mp -128.65 161.83 28.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 47' ' ' ARG . 34.2 t -149.61 153.5 37.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.954 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -126.26 73.97 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.467 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -67.02 -53.47 25.55 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.017 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 62' ' ' SER . 18.4 Cg_endo -75.03 -174.59 2.0 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.483 1.78 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.58 151.17 47.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.338 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 ptm -37.74 108.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.7 t 179.29 88.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.13 -175.17 24.9 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -130.86 158.7 39.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 8.9 ttt -112.21 133.52 54.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.421 ' CD1' ' CZ3' ' A' ' 17' ' ' TRP . 53.7 t80 -93.82 131.58 39.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -104.05 -66.56 0.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -144.27 -170.2 13.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.402 ' CD ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -150.59 137.73 19.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 0.787 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.485 ' HB ' ' CE ' ' A' ' 79' ' ' MET . 3.7 mt -111.6 121.07 40.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 124.19 8.4 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.514 1.797 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.457 ' HA ' ' CB ' ' A' ' 79' ' ' MET . 25.9 mm -56.2 -22.82 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.86 -65.27 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -85.35 14.38 50.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.559 1.162 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.485 ' CE ' ' HB ' ' A' ' 74' ' ' ILE . 9.7 ttm -78.09 145.3 35.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 0.741 . . . . 0.0 111.013 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 97' ' ' THR . 41.1 t -126.75 107.5 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.0 t -108.32 148.71 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 15.2 p30 170.67 139.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.62 55.18 1.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 114' ' ' PHE . 26.9 p . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.8 ptt? -146.2 159.06 43.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.4 ' CD1' ' SD ' ' A' ' 118' ' ' MET . 33.1 p90 -137.49 170.11 16.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -120.18 139.55 52.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 76.3 mt -113.6 100.21 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.471 ' CG2' ' HA ' ' A' ' 103' ' ' ARG . 0.7 OUTLIER -130.67 -174.22 3.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.398 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 99' ' ' SER . . . -129.83 -62.17 0.1 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 98' ' ' GLY . 2.9 p 160.98 48.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.475 ' O ' ' CG2' ' A' ' 101' ' ' VAL . 22.4 m -158.13 -92.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.505 ' O ' ' CG1' ' A' ' 101' ' ' VAL . 41.9 t -157.91 57.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 109.353 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -129.69 20.48 5.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.277 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.471 ' HA ' ' CG2' ' A' ' 97' ' ' THR . 41.0 ttm180 -49.9 131.5 22.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.474 ' CD1' HD12 ' A' ' 74' ' ' ILE . 2.6 mt -126.67 108.2 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.7 t -93.34 100.22 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.441 HG12 ' CG2' ' A' ' 34' ' ' VAL . 8.9 t -86.22 126.82 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -85.24 164.12 18.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.621 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 86.1 m -152.33 146.25 25.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 108.295 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -104.58 -52.29 2.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -99.54 -176.46 3.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -114.1 21.15 15.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -97.63 -69.21 0.77 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -53.63 -48.78 69.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.577 ' CE1' ' HG3' ' A' ' 118' ' ' MET . 11.4 t80 -53.1 -53.18 54.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.088 . . . . 0.0 111.005 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.6 -61.41 1.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.331 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.414 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -47.75 -59.38 3.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.571 ' NE1' ' CD1' ' A' ' 30' ' ' PHE . 40.0 m95 -46.14 -49.58 16.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 108.022 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.577 ' HG3' ' CE1' ' A' ' 114' ' ' PHE . 98.9 mmm -61.68 -33.45 74.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.69 -64.17 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 123' ' ' ARG . 1.5 pt20 -55.94 -58.9 5.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.415 ' H ' ' CG ' ' A' ' 120' ' ' GLN . 8.1 mt -41.64 -29.34 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.405 ' N ' ' C ' ' A' ' 120' ' ' GLN . 0.4 OUTLIER -74.33 -50.2 19.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 120' ' ' GLN . 13.6 ptt180 -73.44 -22.46 60.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.511 ' CD1' ' HA ' ' A' ' 53' ' ' SER . 12.2 mt -74.22 -76.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 62.0 p -48.47 -51.6 26.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.369 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 123' ' ' ARG . 1.2 mttm . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -120.94 158.68 51.74 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 159.28 41.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.472 HD13 ' CD2' ' A' ' 59' ' ' LEU . 4.4 mt -85.88 159.14 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.407 ' N ' HG23 ' A' ' 14' ' ' ILE . 7.9 tt0 -94.93 131.29 41.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 69.1 39.71 1.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.565 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 75.9 t-105 -82.18 -40.98 20.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 108.008 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 72.85 165.67 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 20' ' ' ASP . . . -48.7 125.15 13.49 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 0.5 OUTLIER 161.84 154.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 0.787 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.482 ' O ' ' CG2' ' A' ' 24' ' ' THR . 3.2 m-20 -98.9 107.46 19.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.565 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 9.2 tt -71.06 -12.51 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.436 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -92.61 -7.36 47.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.482 ' CG2' ' O ' ' A' ' 21' ' ' ASP . 4.9 t -86.29 -25.03 25.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 110.352 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.3 mt -72.87 -93.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 178.86 171.98 42.69 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.459 1.099 . . . . 0.0 111.04 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -66.94 167.29 11.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 0.744 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.487 HG21 ' CE1' ' A' ' 52' ' ' PHE . 79.3 t -83.76 99.6 6.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.496 ' CD1' ' HB3' ' A' ' 53' ' ' SER . 70.7 mt -54.95 -78.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.64 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -135.11 123.39 23.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.471 ' CE ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -122.79 148.21 45.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -163.91 172.21 14.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.036 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -94.79 105.51 17.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.464 ' CG2' HG11 ' A' ' 106' ' ' VAL . 20.3 m -111.87 176.35 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.504 ' CG2' ' CD ' ' A' ' 46' ' ' GLU . 2.3 t -125.19 112.26 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.469 ' HG3' ' CG2' ' A' ' 104' ' ' ILE . 2.8 tmm? -130.84 125.39 33.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.453 ' HB3' ' CG ' ' A' ' 45' ' ' GLU . 9.1 pt20 -129.09 173.09 10.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -81.39 -62.58 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.598 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -160.55 -70.85 0.02 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.523 1.139 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -143.65 112.18 6.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -130.24 -74.34 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 108.315 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.42 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 1.1 mm-40 -139.63 -80.14 0.3 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 3.9 mm-40 -137.34 -168.79 2.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.257 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -43.78 148.63 0.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' MET . 66.2 mm-40 -117.55 83.07 1.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.504 ' CD ' ' CG2' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -70.34 129.73 40.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -143.51 153.79 42.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.241 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -103.72 107.69 18.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.584 ' CE1' HD13 ' A' ' 56' ' ' LEU . 2.4 m-30 -94.94 125.41 39.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.471 HD22 ' CE ' ' A' ' 31' ' ' MET . 1.8 mt -117.75 113.64 22.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.551 HD23 ' CZ3' ' A' ' 117' ' ' TRP . 5.5 tp -84.89 102.6 13.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.585 ' CE2' HG13 ' A' ' 57' ' ' ILE . 4.8 m-30 -84.51 2.86 39.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.496 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 1.1 p 74.32 43.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.05 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.4 t 173.81 -30.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.6 p -148.24 142.35 19.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.584 HD13 ' CE1' ' A' ' 49' ' ' PHE . 2.2 tm? -91.37 95.45 10.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.585 HG13 ' CE2' ' A' ' 52' ' ' PHE . 37.7 mm -76.51 131.13 35.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.583 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 11.4 mtm -114.09 125.81 54.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.472 ' CD2' HD13 ' A' ' 14' ' ' ILE . 5.1 mp -121.71 159.05 27.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 p -152.2 135.07 15.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -96.09 98.93 10.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.35 163.51 26.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 67.34 5.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -128.86 -59.7 1.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.1 ttp -174.35 150.02 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.8 t -39.16 147.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 118.76 -176.97 16.29 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.12 . . . . 0.0 111.024 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.0 m-30 -117.28 151.61 36.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 111.014 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 16.0 ttt -118.34 116.91 27.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.468 ' OH ' ' CG ' ' A' ' 73' ' ' LYS . 11.7 t80 -68.87 134.61 49.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -134.53 78.65 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 74.11 166.67 14.68 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.468 ' CG ' ' OH ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -144.05 141.83 30.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 109.289 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.469 ' HB ' ' CE ' ' A' ' 79' ' ' MET . 2.8 mt -113.68 121.58 36.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 129.12 12.03 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.498 1.788 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.46 ' HA ' ' CB ' ' A' ' 79' ' ' MET . 21.7 mm -58.64 -18.07 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.43 -68.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -78.25 3.52 62.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.454 1.096 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.469 ' CE ' ' HB ' ' A' ' 74' ' ' ILE . 21.7 ttm -73.44 134.55 43.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 0.737 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.1 t -122.94 106.68 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.0 t -101.84 153.98 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 54.4 p30 175.33 160.78 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -90.77 25.69 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.423 ' O ' ' CE1' ' A' ' 114' ' ' PHE . 98.4 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -137.98 179.82 6.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 94' ' ' PHE . 3.5 p90 -155.5 168.18 27.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.985 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -118.98 142.47 47.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.405 ' O ' ' HB ' ' A' ' 104' ' ' ILE . 4.0 mt -119.27 91.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.469 ' CG2' ' HG3' ' A' ' 103' ' ' ARG . 73.1 p -96.25 -175.9 3.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.371 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 154.18 -21.85 0.66 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -67.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 110.009 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.474 ' O ' ' CG2' ' A' ' 101' ' ' VAL . 0.1 OUTLIER 175.15 -34.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.433 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.579 ' O ' ' C ' ' A' ' 102' ' ' GLU . 54.7 t -157.32 -42.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.579 ' C ' ' O ' ' A' ' 101' ' ' VAL . 25.1 tt0 -22.69 -66.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.34 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.469 ' HG3' ' CG2' ' A' ' 97' ' ' THR . 11.7 ttm180 66.13 140.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.469 ' CG2' ' HG3' ' A' ' 36' ' ' MET . 6.5 mt -116.39 127.44 74.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.5 t -104.98 97.21 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.464 HG11 ' CG2' ' A' ' 34' ' ' VAL . 22.0 t -83.4 118.61 31.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -90.24 121.41 32.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.597 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 19.2 m -113.94 173.59 6.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.276 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -146.07 -48.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.253 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.47 174.98 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -117.42 -55.39 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -61.66 2.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.06 -59.64 4.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.423 ' CE1' ' O ' ' A' ' 92' ' ' CYS . 65.2 t80 -41.74 -55.81 2.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -45.68 -61.36 1.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.261 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.553 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -38.39 -59.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 110.273 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.64 ' CZ2' ' O ' ' A' ' 30' ' ' PHE . 38.8 m95 -42.52 -51.33 5.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 107.974 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.41 ' SD ' ' CZ ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -59.25 -42.23 90.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -68.95 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.428 ' O ' ' HG ' ' A' ' 124' ' ' LEU . 0.6 OUTLIER -48.18 -59.34 3.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 110.28 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 122' ' ' ASN . 12.1 mt -44.78 -55.08 5.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 121' ' ' LEU . 0.3 OUTLIER -39.06 -32.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.435 ' NH1' ' HB2' ' A' ' 123' ' ' ARG . 9.9 ttm105 -92.34 -59.78 2.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.345 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.504 HD11 ' CD2' ' A' ' 51' ' ' LEU . 6.7 mt -45.73 -54.77 7.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 11.0 p -88.78 38.29 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.429 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -76.46 152.93 83.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 140.8 25.8 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 111.008 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 15' ' ' GLN . 6.4 mt -83.97 137.44 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.416 ' N ' HG22 ' A' ' 14' ' ' ILE . 4.6 tt0 -75.16 138.66 42.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 67.88 20.59 9.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -84.11 93.89 8.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 108.017 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.32 149.34 40.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.59 -65.77 0.59 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -177.7 -167.08 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 0.739 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.474 ' CB ' HG21 ' A' ' 24' ' ' THR . 1.1 m-20 -68.58 154.09 42.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.5 tt -83.98 -27.68 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.51 -19.82 65.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.474 HG21 ' CB ' ' A' ' 21' ' ' ASP . 19.3 p -70.08 -25.67 63.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.414 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 70.1 mt -80.67 -71.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.83 -139.44 5.79 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.458 1.099 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.53 -167.79 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.558 HG23 ' CE1' ' A' ' 52' ' ' PHE . 78.0 t -113.54 104.2 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.501 ' CG2' ' OE1' ' A' ' 120' ' ' GLN . 25.8 mt -55.91 -76.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.6 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -132.05 124.78 29.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.9 ptm -122.25 135.47 54.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.0 p -161.36 160.41 29.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.949 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -82.47 107.14 14.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.468 ' HB ' ' CG1' ' A' ' 106' ' ' VAL . 27.5 m -105.52 174.47 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.507 ' CG2' ' CD ' ' A' ' 46' ' ' GLU . 1.4 t -126.66 106.66 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.441 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 1.7 tmm? -127.62 121.64 31.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.448 ' CG ' ' HG3' ' A' ' 45' ' ' GLU . 21.3 tm0? -128.79 149.23 50.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.599 ' CG ' ' N ' ' A' ' 39' ' ' GLY . 0.8 OUTLIER -46.93 -88.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.64 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.599 ' N ' ' CG ' ' A' ' 38' ' ' HIS . . . -167.17 90.83 0.1 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 76.58 120.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 109.303 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.404 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -170.18 -153.67 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 108.319 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -53.94 -82.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -142.32 -174.57 4.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -44.45 159.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.448 ' HG3' ' CG ' ' A' ' 37' ' ' GLN . 17.4 mt-10 -121.8 80.99 1.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.507 ' CD ' ' CG2' ' A' ' 35' ' ' VAL . 0.6 OUTLIER -66.91 130.08 41.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.9 mtm-85 -149.29 178.26 8.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -121.15 129.01 53.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.564 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 2.3 m-30 -116.55 114.07 23.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 mt -103.58 111.27 23.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.512 ' CD2' HD12 ' A' ' 124' ' ' LEU . 8.5 tp -88.82 111.95 22.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.614 ' CE2' HG13 ' A' ' 57' ' ' ILE . 8.0 m-30 -94.4 3.71 54.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.477 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 1.0 OUTLIER 75.0 37.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.043 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.69 -30.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 110.031 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.7 p -142.83 148.32 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.511 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 2.0 tm? -104.72 93.96 5.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.614 HG13 ' CE2' ' A' ' 52' ' ' PHE . 8.6 mm -77.04 126.07 37.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.564 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 27.4 mtm -109.97 131.93 54.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.9 mp -123.61 160.77 26.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.6 m -137.59 130.97 30.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.07 -172.12 2.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.472 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.1 OUTLIER 172.92 -54.61 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.988 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.472 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.2 Cg_endo -74.95 -178.48 4.18 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.86 74.86 1.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 169.72 -35.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.09 -178.62 5.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.997 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.92 -125.91 3.3 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.574 1.171 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -131.69 155.36 47.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.783 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.8 ttt -115.64 129.04 56.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -87.18 142.7 27.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 111.068 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -115.53 -72.09 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -138.76 179.32 18.62 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.0 pttt -145.72 134.52 22.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.479 ' HB ' ' CE ' ' A' ' 79' ' ' MET . 9.4 mt -115.4 123.94 30.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 127.04 10.38 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.456 1.767 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.461 ' CG2' ' O ' ' A' ' 124' ' ' LEU . 22.1 mm -46.03 -28.53 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.28 -72.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.37 -18.32 55.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.548 1.155 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.479 ' CE ' ' HB ' ' A' ' 74' ' ' ILE . 12.8 ttm -57.61 137.86 55.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 0.774 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.3 t -132.36 114.81 24.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 t -114.21 146.76 18.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.56 ' O ' ' C ' ' A' ' 83' ' ' ARG . 45.1 m-20 -170.59 39.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.56 ' C ' ' O ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER 25.15 49.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.516 ' CD2' ' C ' ' A' ' 94' ' ' PHE . 1.3 mm? . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 171.44 158.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.516 ' C ' ' CD2' ' A' ' 84' ' ' LEU . 16.2 p90 -148.6 168.97 21.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.458 ' HB3' ' CD2' ' A' ' 84' ' ' LEU . 4.4 pt-20 -125.69 154.14 42.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 60.0 mt -125.65 91.11 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 62.3 p -99.22 -178.2 3.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.399 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -158.83 -76.36 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.0 t -144.36 31.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 109.997 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.1 p -136.27 -172.43 3.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 102' ' ' GLU . 10.6 m -115.29 -29.3 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 101' ' ' VAL . 0.1 OUTLIER -38.48 -46.35 1.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 103' ' ' ARG . 17.8 ttm105 61.53 135.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.47 ' CD1' HD13 ' A' ' 74' ' ' ILE . 4.2 mt -99.39 107.9 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.5 t -94.54 98.25 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.468 ' CG1' ' HB ' ' A' ' 34' ' ' VAL . 14.4 t -85.17 110.35 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -71.3 126.25 29.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.602 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 30.7 p -50.4 158.95 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 108.303 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.422 ' O ' ' ND2' ' A' ' 110' ' ' ASN . 44.7 t-20 -130.35 -45.96 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 1.6 m-80 -154.35 141.36 19.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 112' ' ' GLN . 0.6 OUTLIER -48.77 -71.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.44 ' NE2' ' OD1' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -36.43 -68.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.44 ' OD1' ' NE2' ' A' ' 112' ' ' GLN . 0.8 OUTLIER -48.22 -64.08 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -40.27 -63.44 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -40.49 -53.7 2.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.443 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -49.05 -60.58 2.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.6 ' CZ2' ' O ' ' A' ' 30' ' ' PHE . 44.3 m95 -43.84 -52.1 6.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 108.036 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.472 ' CE ' ' HB3' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -59.54 -43.74 93.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 110.979 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -68.25 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.501 ' OE1' ' CG2' ' A' ' 29' ' ' ILE . 9.0 pt20 -51.82 -56.93 10.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.436 ' C ' ' N ' ' A' ' 123' ' ' ARG . 8.6 mt -45.29 -53.52 8.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -41.0 -29.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 123' ' ' ARG . 11.9 ttm105 -96.64 -59.37 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.512 HD12 ' CD2' ' A' ' 51' ' ' LEU . 9.3 mt -42.67 -56.73 3.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 60.6 p -67.77 -42.94 80.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -77.11 157.56 81.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 125.62 9.48 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.471 HD12 ' CD2' ' A' ' 59' ' ' LEU . 4.3 mt -71.25 124.01 26.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.536 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 4.1 tt0 -57.75 138.38 55.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.536 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . 86.5 -39.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.58 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 31.8 t-105 -40.2 111.87 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 20' ' ' ASP . 29.8 mt-10 -70.76 164.69 24.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.258 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -50.87 93.05 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.128 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.0 t0 -165.17 169.11 16.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.418 ' CB ' ' HB ' ' A' ' 24' ' ' THR . 51.4 m-20 -103.5 124.55 48.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.58 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 11.9 tt -84.16 -16.65 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.176 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HD2' ' CG2' ' A' ' 22' ' ' ILE . 0.9 OUTLIER -91.51 -2.73 57.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.418 ' HB ' ' CB ' ' A' ' 21' ' ' ASP . 5.1 t -89.47 -19.4 25.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 110.4 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 81.6 mt -70.68 -76.62 0.1 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.32 -118.46 0.48 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -150.22 134.81 17.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.789 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.511 HG21 ' CE1' ' A' ' 52' ' ' PHE . 64.9 t -60.29 92.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.253 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 53' ' ' SER . 8.9 mt -55.08 -79.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.535 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 14.2 t80 -131.39 126.25 34.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.4 ptm -126.22 142.86 51.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.8 t -161.06 160.93 31.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.986 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -76.85 106.25 8.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.8 m -108.27 173.1 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.504 ' CG2' ' CD ' ' A' ' 46' ' ' GLU . 2.1 t -124.54 110.81 26.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.49 ' HE3' ' CZ ' ' A' ' 49' ' ' PHE . 2.4 tmm? -132.22 125.95 32.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.88 163.38 13.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -80.37 -76.3 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.608 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.66 97.24 0.11 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 52.59 97.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.323 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.48 -75.34 0.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 108.265 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.407 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -143.47 -81.92 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.407 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 5.2 mm-40 -137.5 -168.89 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -43.5 148.55 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.172 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 36' ' ' MET . 42.9 mm-40 -121.82 88.12 2.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.504 ' CD ' ' CG2' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -69.62 138.43 53.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -157.62 172.13 19.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -115.58 131.52 56.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.582 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 2.0 m-30 -118.82 123.5 44.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.12 118.94 36.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.522 ' HB2' ' CH2' ' A' ' 117' ' ' TRP . 8.8 tp -95.36 115.95 28.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.594 ' CE2' HG13 ' A' ' 57' ' ' ILE . 8.1 m-30 -96.16 4.52 52.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.469 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 0.9 OUTLIER 76.27 33.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.38 -32.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.8 p -138.74 144.38 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.492 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 2.4 tm? -100.32 94.1 6.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.594 HG13 ' CE2' ' A' ' 52' ' ' PHE . 14.8 mm -76.12 133.42 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.582 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 30.8 mtm -118.24 130.69 56.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.471 ' CD2' HD12 ' A' ' 14' ' ' ILE . 2.8 mp -118.63 161.11 20.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.47 118.85 8.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.95 112.26 13.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.16 171.44 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.012 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 50.9 2.62 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.452 1.764 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 65' ' ' MET . 0.0 OUTLIER 173.04 37.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.427 ' HG3' ' N ' ' A' ' 66' ' ' SER . 13.7 ptm 37.13 -157.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.427 ' N ' ' HG3' ' A' ' 65' ' ' MET . 0.6 OUTLIER 64.64 114.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.965 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 58.15 153.85 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.13 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -111.0 163.17 14.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.4 ttt -119.77 128.77 54.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.444 ' CD1' ' CE3' ' A' ' 17' ' ' TRP . 28.3 t80 -87.49 119.7 28.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -86.99 -69.61 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.241 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -148.62 -179.54 24.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -134.49 139.17 45.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.746 . . . . 0.0 109.264 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.505 ' CG2' ' CE ' ' A' ' 79' ' ' MET . 8.5 mt -119.89 122.98 28.71 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 129.44 12.39 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.489 1.784 . . . . 0.0 111.032 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.423 ' HA ' ' CB ' ' A' ' 79' ' ' MET . 28.9 mm -56.52 -22.9 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.85 -75.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.87 -15.48 62.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.567 1.167 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.505 ' CE ' ' CG2' ' A' ' 74' ' ' ILE . 6.4 ttm -54.37 135.36 45.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 0.765 . . . . 0.0 110.958 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.0 t -123.51 108.17 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.7 t -115.48 144.18 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.4 p30 178.11 133.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 84' ' ' LEU . 1.7 ttt180 -40.85 99.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.43 ' O ' ' O ' ' A' ' 83' ' ' ARG . 11.7 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.517 ' O ' ' CZ ' ' A' ' 114' ' ' PHE . 27.0 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -110.48 -172.43 2.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.428 ' CD2' ' SD ' ' A' ' 118' ' ' MET . 21.8 p90 -156.81 158.27 36.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 22.6 pt-20 -113.13 168.4 9.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.0 mt -131.61 91.69 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.474 ' CG2' ' HA ' ' A' ' 103' ' ' ARG . 70.6 p -106.03 179.71 4.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.385 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.2 -77.09 0.21 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 83.0 p -178.17 37.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 109.967 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.437 ' CG2' ' N ' ' A' ' 101' ' ' VAL . 8.5 m -159.96 -105.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.533 ' O ' ' CG1' ' A' ' 101' ' ' VAL . 30.8 t -140.06 56.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.584 ' CG ' ' O ' ' A' ' 102' ' ' GLU . 9.3 tt0 -118.63 14.43 13.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.474 ' HA ' ' CG2' ' A' ' 97' ' ' THR . 42.7 ttm180 -41.56 130.9 3.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.455 ' CD1' HD13 ' A' ' 74' ' ' ILE . 1.8 mt -128.99 109.61 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 25.0 t -89.06 99.27 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.415 HG22 ' CE2' ' A' ' 49' ' ' PHE . 24.0 t -87.71 114.94 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.152 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -91.82 165.27 13.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.547 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 175.61 151.58 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 108.276 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -109.08 -51.58 2.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.335 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -46.58 169.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -118.11 -50.15 2.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.86 -60.42 2.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.68 -61.09 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.578 ' CZ ' ' HG3' ' A' ' 118' ' ' MET . 34.5 t80 -44.71 -52.13 8.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -43.0 -66.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.5 OUTLIER -38.25 -61.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.535 ' CZ2' ' O ' ' A' ' 30' ' ' PHE . 60.6 m95 -44.17 -53.14 6.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 108.013 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.578 ' HG3' ' CZ ' ' A' ' 114' ' ' PHE . 94.3 mmm -64.97 -28.04 69.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.127 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -71.57 -55.25 8.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.334 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 123' ' ' ARG . 8.2 pt20 -64.86 -58.67 5.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.438 ' H ' ' CG ' ' A' ' 120' ' ' GLN . 9.2 mt -46.87 -25.29 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.3 OUTLIER -68.15 -41.84 80.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.472 ' HG3' ' N ' ' A' ' 124' ' ' LEU . 4.5 ptm180 -91.77 -37.9 12.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.487 HD12 ' CD2' ' A' ' 51' ' ' LEU . 28.5 mt -55.23 -70.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 19.2 p -62.98 -46.35 88.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.378 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.8 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -41.76 155.43 0.23 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 155.47 43.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.525 1.802 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.489 HD13 ' CD2' ' A' ' 59' ' ' LEU . 7.3 mt -74.0 131.69 34.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 17' ' ' TRP . 5.4 tt0 -58.46 146.43 35.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 110.333 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.535 ' O ' ' C ' ' A' ' 17' ' ' TRP . . . 68.4 -67.19 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.535 ' C ' ' O ' ' A' ' 16' ' ' ALA . 26.1 t-105 31.9 84.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' ASP . 3.4 mt-10 -38.25 146.68 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.56 95.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 18' ' ' GLU . 0.7 OUTLIER 177.97 151.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.417 ' HB2' ' CG2' ' A' ' 24' ' ' THR . 90.2 m-20 -91.0 145.56 24.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.526 HD12 ' CH2' ' A' ' 17' ' ' TRP . 2.8 tt -95.35 -18.06 6.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -84.41 -10.28 57.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.417 ' CG2' ' HB2' ' A' ' 21' ' ' ASP . 10.7 p -86.27 -27.08 24.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.43 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.8 mt -75.52 -89.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.14 165.98 30.08 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -53.71 173.69 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.76 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.477 HG22 ' CE1' ' A' ' 52' ' ' PHE . 86.7 t -97.41 103.37 14.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.481 ' CD1' ' HB3' ' A' ' 53' ' ' SER . 18.9 mt -43.37 -77.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 109.343 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -144.01 121.39 11.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.6 149.05 38.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.2 m -161.52 151.89 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.981 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -72.1 103.73 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.241 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.7 m -105.86 178.2 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.505 ' CG2' ' CD ' ' A' ' 46' ' ' GLU . 1.4 t -132.35 115.33 25.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.112 . . . . 0.0 109.242 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.431 ' HE2' ' CZ ' ' A' ' 49' ' ' PHE . 1.4 tmm? -134.53 117.14 15.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -124.78 -173.97 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.557 ' CD2' ' HB2' ' A' ' 41' ' ' CYS . 0.9 OUTLIER -112.63 -163.03 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.572 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 38' ' ' HIS . . . -37.58 -71.58 0.2 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.442 1.089 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -140.87 99.41 3.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.775 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.557 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . 0.5 OUTLIER -115.38 51.99 0.9 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 108.291 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 65.5 -75.96 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 41' ' ' CYS . 11.3 mt-10 -139.53 177.25 8.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -40.85 154.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 36' ' ' MET . 27.2 mm-40 -118.69 86.36 2.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.505 ' CD ' ' CG2' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -61.76 122.22 14.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.345 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -142.18 176.33 9.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.69 131.24 53.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.572 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 2.4 m-30 -116.16 123.42 47.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.402 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -110.22 119.21 38.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.47 ' CD2' ' HG3' ' A' ' 120' ' ' GLN . 6.1 tp -95.7 114.94 26.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.654 ' CE2' HG13 ' A' ' 57' ' ' ILE . 9.1 m-30 -98.01 4.43 49.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.481 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 1.1 p 73.91 41.29 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.995 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.58 -28.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 110.014 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.419 HG22 ' N ' ' A' ' 56' ' ' LEU . 3.3 p -142.09 140.08 29.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.498 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 1.7 tm? -100.98 94.04 5.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.654 HG13 ' CE2' ' A' ' 52' ' ' PHE . 4.7 mm -79.41 133.39 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.572 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 25.6 mtm -114.49 125.92 54.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.489 ' CD2' HD13 ' A' ' 14' ' ' ILE . 1.0 OUTLIER -115.23 162.41 17.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.0 118.49 9.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.995 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.56 44.97 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.474 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -59.09 -53.18 68.93 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 62' ' ' SER . 18.3 Cg_endo -75.01 106.94 2.37 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.536 1.808 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.42 125.03 22.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.416 ' O ' ' CB ' ' A' ' 66' ' ' SER . 9.1 tpt 59.0 86.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 65' ' ' MET . 3.9 t 165.13 60.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 44.97 -170.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 111.052 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -106.81 145.49 32.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 26.5 ttt -100.19 149.7 23.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -106.71 132.87 52.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -103.99 -69.72 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.172 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -146.35 172.23 26.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.7 pttt -135.28 142.25 45.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.482 ' CD1' HD11 ' A' ' 104' ' ' ILE . 3.6 mt -113.35 116.47 46.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.416 ' C ' ' N ' ' A' ' 77' ' ' ALA . 18.3 Cg_endo -74.98 122.29 7.12 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.5 mm -40.13 -32.13 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 75' ' ' PRO . . . -63.86 127.35 31.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 77.49 -7.68 38.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.434 ' CE ' ' HB ' ' A' ' 74' ' ' ILE . 44.2 ttm -67.38 136.76 55.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.769 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.9 t -117.67 112.86 40.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.4 t -114.41 134.19 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 42.9 p30 174.7 147.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -57.78 148.87 23.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.505 ' O ' ' CG ' ' A' ' 93' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.505 ' CG ' ' O ' ' A' ' 92' ' ' CYS . 13.9 ptt? 43.12 -167.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -141.32 176.89 8.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.443 ' OE1' ' NE ' ' A' ' 103' ' ' ARG . 6.3 pt-20 -132.95 140.49 47.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 57.8 mt -109.44 99.65 9.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.448 ' CG2' ' HG3' ' A' ' 103' ' ' ARG . 31.7 p -115.76 -175.4 2.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 173.08 -104.94 0.2 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 54.6 p -96.23 39.89 1.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 0.782 . . . . 0.0 109.965 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.44 174.59 14.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 41.3 t -115.59 -28.3 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -39.02 -44.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.448 ' HG3' ' CG2' ' A' ' 97' ' ' THR . 15.2 ttm180 64.31 122.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.334 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.482 HD11 ' CD1' ' A' ' 74' ' ' ILE . 2.8 mt -90.35 110.32 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 44.2 t -94.55 97.31 6.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.449 HG22 ' CE2' ' A' ' 49' ' ' PHE . 21.8 t -85.89 112.37 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -70.31 162.94 27.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.654 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.1 t -97.04 125.47 41.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 108.301 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.8 14.52 10.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -177.54 158.26 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -91.17 -51.26 5.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -61.35 2.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.24 -51.73 8.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.498 ' CE2' ' HG3' ' A' ' 118' ' ' MET . 93.4 t80 -49.47 -66.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -38.7 -44.42 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.258 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.29 -55.21 37.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.419 ' CZ3' HD22 ' A' ' 51' ' ' LEU . 53.9 m95 -54.35 -54.1 44.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 107.945 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.498 ' HG3' ' CE2' ' A' ' 114' ' ' PHE . 95.6 mmm -57.21 -20.39 26.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.47 -63.04 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.47 ' HG3' ' CD2' ' A' ' 51' ' ' LEU . 7.6 pt20 -50.95 -47.66 61.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.252 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.9 mt -57.98 -41.25 82.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -27.88 55.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 120' ' ' GLN . 12.6 ttt-85 -82.89 -55.4 4.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.256 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' A' ' 53' ' ' SER . 1.4 mt -52.75 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.438 ' OG1' ' N ' ' A' ' 126' ' ' LYS . 60.9 p -54.58 -70.68 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.415 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.438 ' N ' ' OG1' ' A' ' 125' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -45.28 152.51 0.62 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 110.332 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 168.81 24.01 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.481 ' CG2' ' HB2' ' A' ' 70' ' ' TYR . 8.1 mt -87.69 109.6 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.525 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -60.07 151.09 27.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . 85.56 -37.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.448 ' CH2' ' CD1' ' A' ' 22' ' ' ILE . 30.3 t-105 -39.53 100.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -62.33 174.83 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 20' ' ' ASP . . . -54.23 110.67 1.64 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 2.6 m-20 156.21 139.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.457 ' HB2' ' CG2' ' A' ' 24' ' ' THR . 13.6 m-20 -82.71 152.44 25.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.448 ' CD1' ' CH2' ' A' ' 17' ' ' TRP . 7.1 tt -84.72 -33.37 8.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -50.36 -26.54 5.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.457 ' CG2' ' HB2' ' A' ' 21' ' ' ASP . 33.1 p -61.21 -33.54 73.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.7 mt -77.26 -61.11 2.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 157.86 -141.7 7.96 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -110.78 -172.42 2.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.763 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.402 ' CG1' ' HB2' ' A' ' 31' ' ' MET . 94.0 t -107.94 115.7 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 53' ' ' SER . 29.1 mt -72.41 -72.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.52 114.4 18.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.406 ' CE ' HD21 ' A' ' 50' ' ' LEU . 38.0 ttm -117.12 126.23 52.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.4 t -160.93 168.88 23.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.016 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -85.87 108.54 18.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.4 m -105.89 170.52 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.457 HG22 ' CG ' ' A' ' 46' ' ' GLU . 1.4 t -118.19 110.66 31.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.561 ' HE1' ' CZ ' ' A' ' 49' ' ' PHE . 1.5 tmm? -139.27 123.29 17.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.79 -72.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -171.12 -74.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.584 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 169.62 82.99 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 66.8 130.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.2 t -178.75 -74.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 108.259 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.425 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 2.3 mp0 -127.15 -73.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.425 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 12.5 mm-40 -142.08 -168.34 2.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.0 ptpp? -84.81 138.2 32.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -103.6 91.72 4.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.457 ' CG ' HG22 ' A' ' 35' ' ' VAL . 11.4 mt-10 -69.07 144.93 53.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.446 ' NH1' ' OG ' ' A' ' 60' ' ' SER . 0.1 OUTLIER -162.79 176.96 9.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -114.0 131.55 56.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.574 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 1.3 m-30 -120.19 116.83 26.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.414 ' CD1' HD21 ' A' ' 59' ' ' LEU . 0.6 OUTLIER -102.25 110.51 22.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.49 ' CD2' HD11 ' A' ' 124' ' ' LEU . 10.2 tp -85.77 108.52 18.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.595 ' CE2' HG13 ' A' ' 57' ' ' ILE . 7.9 m-30 -91.62 -3.82 55.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER 83.93 -13.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.031 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.27 7.9 2.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.042 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.42 ' N ' HG12 ' A' ' 76' ' ' ILE . 6.8 p -177.88 146.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.507 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 2.3 tm? -109.03 94.34 4.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.595 HG13 ' CE2' ' A' ' 52' ' ' PHE . 7.0 mm -77.36 133.52 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.574 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 8.2 mtm -114.95 128.17 56.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.479 ' CD2' ' CD1' ' A' ' 14' ' ' ILE . 2.1 mp -118.31 155.63 30.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.446 ' OG ' ' NH1' ' A' ' 47' ' ' ARG . 2.2 m -131.9 136.35 47.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.016 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -126.56 98.45 5.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.372 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 p -56.07 159.85 5.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.024 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 58.08 4.75 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 177.25 168.61 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.494 ' O ' ' CB ' ' A' ' 66' ' ' SER . 8.1 tpt -40.8 120.6 1.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 65' ' ' MET . 2.7 t 159.41 123.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 66' ' ' SER . . . -60.4 -133.58 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -109.57 141.15 42.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 0.0 111.012 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.2 ttt -118.49 115.0 23.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.481 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 54.2 t80 -66.74 134.8 52.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -145.95 97.39 2.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.344 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 69.1 159.11 1.78 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.142 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -147.82 128.92 14.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.745 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.457 ' CD1' HG23 ' A' ' 96' ' ' ILE . 7.7 mt -98.13 109.77 53.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 130.98 13.76 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.531 1.806 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.465 ' HA ' ' CB ' ' A' ' 79' ' ' MET . 30.6 mm -49.39 -28.27 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.64 -64.64 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.425 ' O ' ' CA ' ' A' ' 98' ' ' GLY . . . -85.2 13.43 54.81 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.476 1.11 . . . . 0.0 111.043 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.465 ' CB ' ' HA ' ' A' ' 76' ' ' ILE . 35.5 ttm -82.29 125.54 31.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 111.049 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.8 t -114.18 108.15 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.9 t -108.53 143.63 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -175.53 165.85 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -90.49 33.48 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.402 HD12 ' N ' ' A' ' 95' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 48.1 mtm 59.59 176.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -141.5 157.13 45.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.482 ' HB2' ' CG ' ' A' ' 103' ' ' ARG . 5.9 pt-20 -112.3 155.63 23.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.457 HG23 ' CD1' ' A' ' 74' ' ' ILE . 24.7 mt -129.42 99.52 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 52.6 p -115.12 -175.62 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.425 ' CA ' ' O ' ' A' ' 78' ' ' GLY . . . 154.93 -38.61 0.64 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.467 ' O ' ' CG2' ' A' ' 100' ' ' THR . 0.1 OUTLIER -52.13 -75.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 110.025 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 99' ' ' SER . 6.5 p -157.48 -78.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.436 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 14.2 m -117.24 -7.65 11.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -66.38 149.7 50.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.482 ' CG ' ' HB2' ' A' ' 95' ' ' GLU . 22.6 ttm180 -141.71 138.2 32.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.472 ' CG2' ' HG3' ' A' ' 36' ' ' MET . 2.5 mt -109.84 112.94 42.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.2 t -94.61 98.01 7.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.7 t -87.8 124.72 41.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -85.3 122.64 29.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.626 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 114' ' ' PHE . 32.1 p -52.24 133.28 34.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 108.294 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -91.57 -48.33 6.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.472 ' O ' ' CB ' ' A' ' 114' ' ' PHE . 0.5 OUTLIER -149.98 158.69 44.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.69 -64.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.25 -68.01 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.82 -62.5 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 108' ' ' CYS . 88.0 t80 -45.71 -66.29 0.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 111.007 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -42.2 -46.84 4.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.251 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.01 -61.87 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.445 ' O ' ' CD1' ' A' ' 121' ' ' LEU . 61.1 m95 -43.7 -53.31 5.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 108.034 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 1.1 mtp -59.45 -38.05 79.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.04 -69.67 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.431 ' NE2' ' HA ' ' A' ' 117' ' ' TRP . 1.6 pt20 -48.8 -55.1 12.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.445 ' CD1' ' O ' ' A' ' 117' ' ' TRP . 5.7 mt -47.13 -51.97 16.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.432 ' O ' ' CG ' ' A' ' 126' ' ' LYS . 0.3 OUTLIER -45.8 -27.81 0.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.447 ' NH1' ' HB2' ' A' ' 123' ' ' ARG . 11.1 ttm105 -94.29 -58.2 2.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.49 HD11 ' CD2' ' A' ' 51' ' ' LEU . 9.5 mt -38.16 -69.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 50.4 p -52.6 -48.71 66.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.415 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.432 ' CG ' ' O ' ' A' ' 122' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -57.8 157.04 16.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 176.0 10.46 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.465 1.771 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.405 HG23 ' N ' ' A' ' 15' ' ' GLN . 4.2 mt -84.49 159.08 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.405 ' N ' HG23 ' A' ' 14' ' ' ILE . 8.0 tt0 -104.03 134.94 46.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 75.8 33.23 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.583 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 60.0 t-105 -89.7 119.49 30.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 107.971 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' ASP . 55.9 mt-10 -57.02 166.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.13 76.41 0.05 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 18' ' ' GLU . 8.1 p-10 -160.32 170.51 20.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 0.785 . . . . 0.0 109.245 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.437 ' O ' ' CG2' ' A' ' 24' ' ' THR . 1.0 OUTLIER -103.5 139.82 38.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.583 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 5.8 tt -80.41 -27.68 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -81.42 -5.25 57.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.437 ' CG2' ' O ' ' A' ' 21' ' ' ASP . 2.4 t -87.57 -27.55 22.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.402 ' N ' HG23 ' A' ' 24' ' ' THR . 67.9 mt -72.39 -67.82 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.24 156.43 10.71 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.465 1.103 . . . . 0.0 111.026 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 -57.71 155.59 9.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 0.768 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.568 HG22 ' CE1' ' A' ' 52' ' ' PHE . 95.8 t -82.37 108.5 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.479 ' CD1' ' HB3' ' A' ' 53' ' ' SER . 35.0 mt -59.97 -74.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.565 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.3 OUTLIER -125.43 122.02 35.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 111.024 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.452 ' CE ' HD21 ' A' ' 50' ' ' LEU . 37.4 ttm -122.63 117.64 26.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.82 171.68 15.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.017 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -94.32 107.1 19.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.355 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.484 ' HB ' ' CG1' ' A' ' 106' ' ' VAL . 10.6 m -109.9 178.17 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.506 ' CG2' ' CD ' ' A' ' 46' ' ' GLU . 1.6 t -126.08 113.68 35.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.482 ' HG3' ' CG2' ' A' ' 104' ' ' ILE . 2.8 tmm? -133.64 126.17 30.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.11 -179.48 4.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -101.67 -161.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.586 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.82 59.09 0.51 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -176.82 107.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 0.742 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.47 ' O ' ' O ' ' A' ' 42' ' ' GLU . 0.8 OUTLIER -46.99 -91.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 108.314 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER 44.3 99.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.292 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 42' ' ' GLU . 9.0 pt-20 45.5 -172.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.338 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.5 pttm -105.84 143.33 34.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 36' ' ' MET . 56.5 mm-40 -104.1 89.74 3.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.506 ' CD ' ' CG2' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -73.01 131.16 41.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -150.82 152.7 34.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -97.2 121.4 39.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.556 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 1.7 m-30 -107.18 114.86 29.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.452 HD21 ' CE ' ' A' ' 31' ' ' MET . 0.4 OUTLIER -105.46 110.77 23.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.567 HD22 ' CE3' ' A' ' 117' ' ' TRP . 6.7 tp -89.36 108.7 19.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.606 ' CE2' HG13 ' A' ' 57' ' ' ILE . 7.9 m-30 -90.88 4.3 52.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.479 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 1.0 OUTLIER 74.55 36.01 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.033 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.7 t -179.09 -32.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.016 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.408 HG22 ' N ' ' A' ' 56' ' ' LEU . 7.1 p -141.5 147.96 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.458 ' CD1' ' HG2' ' A' ' 58' ' ' MET . 2.7 tm? -102.98 94.17 5.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.606 HG13 ' CE2' ' A' ' 52' ' ' PHE . 14.2 mm -77.53 124.09 35.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.249 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.556 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 39.9 mtm -108.73 134.48 51.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 mp -123.55 159.37 29.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 p -139.26 127.14 22.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -101.03 95.15 6.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.82 167.95 0.25 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 56.05 4.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.765 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -179.99 116.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.419 ' O ' ' HG3' ' A' ' 65' ' ' MET . 2.1 ptm -38.89 117.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 65' ' ' MET . 3.2 t 178.95 73.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.036 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 66' ' ' SER . . . 37.05 -153.44 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -112.12 169.28 8.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 0.761 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.0 ttt -133.39 124.09 26.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -76.2 118.14 18.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -94.94 -60.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 110.274 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.48 ' O ' ' CE ' ' A' ' 58' ' ' MET . . . -156.73 160.6 30.42 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -126.87 150.73 49.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 0.724 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.475 ' HB ' ' CE ' ' A' ' 79' ' ' MET . 9.3 mt -125.33 133.46 24.87 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.02 128.64 11.63 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.476 1.777 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.465 ' O ' ' CB ' ' A' ' 79' ' ' MET . 12.1 mm -55.68 -35.21 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.38 -87.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -42.99 -26.16 0.44 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.475 ' CE ' ' HB ' ' A' ' 74' ' ' ILE . 6.2 tpp -41.94 154.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 0.73 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.4 t -144.16 108.29 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.3 t -122.35 133.14 69.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -156.8 33.26 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 42.12 39.0 1.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.422 ' CD2' ' HA ' ' A' ' 94' ' ' PHE . 1.3 mm? . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 17.8 t . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -117.24 -169.35 1.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.422 ' HA ' ' CD2' ' A' ' 84' ' ' LEU . 4.3 p90 -148.98 160.34 43.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.42 ' N ' HD21 ' A' ' 84' ' ' LEU . 5.1 pt-20 -118.69 144.33 46.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 26.8 mt -114.96 95.82 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.468 ' CG2' ' HA ' ' A' ' 103' ' ' ARG . 45.9 p -107.56 175.72 5.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.453 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -176.51 38.46 0.1 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.32 -173.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 0.779 . . . . 0.0 109.983 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.7 t -102.39 41.27 1.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.365 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 1.5 p -170.01 -42.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.85 155.73 22.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.468 ' HA ' ' CG2' ' A' ' 97' ' ' THR . 32.0 ttp180 -179.78 112.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.482 ' CG2' ' HG3' ' A' ' 36' ' ' MET . 4.4 mt -106.62 131.82 55.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 47.7 t -112.99 98.41 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.484 ' CG1' ' HB ' ' A' ' 34' ' ' VAL . 3.4 t -86.92 125.85 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -77.97 165.11 24.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.608 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 30.6 p -172.58 157.68 3.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 108.284 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -108.43 16.09 23.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 64.05 85.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -135.47 -175.77 4.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -27.8 65.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.98 -57.4 9.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -52.37 -62.25 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.2 -38.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.18 -53.39 55.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.567 ' CE3' HD22 ' A' ' 51' ' ' LEU . 50.1 m95 -48.3 -43.19 32.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 107.982 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 88.2 mmm -69.9 -38.24 76.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 122' ' ' ASN . 0.0 OUTLIER -61.27 -52.38 64.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 110.253 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.512 ' O ' ' CG ' ' A' ' 123' ' ' ARG . 1.5 pt20 -66.83 -55.9 12.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.438 ' CD1' ' O ' ' A' ' 117' ' ' TRP . 7.9 mt -48.72 -25.66 1.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.3 OUTLIER -66.65 -26.72 67.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.512 ' CG ' ' O ' ' A' ' 120' ' ' GLN . 0.6 OUTLIER -104.98 -26.7 12.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.486 HD11 ' CD2' ' A' ' 51' ' ' LEU . 10.0 mt -72.68 -58.42 3.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 121' ' ' LEU . 19.6 p -68.3 -51.4 45.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.1 m . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -77.77 153.71 80.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -165.26 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.541 1.811 . . . . 0.0 111.039 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.455 ' CD1' ' CD2' ' A' ' 59' ' ' LEU . 4.4 mt -95.15 149.21 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -97.03 134.12 40.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 66.07 34.07 7.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 39.8 t-105 -62.61 152.23 35.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 108.023 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -157.0 177.73 11.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.03 74.57 0.41 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 49.5 -176.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 109.317 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.53 171.43 6.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.6 tt -89.39 -21.41 6.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.07 -4.21 58.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.3 p -97.94 -23.13 15.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.362 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.2 mt -69.33 -69.47 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 178.41 -123.19 0.85 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.137 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -141.8 145.99 35.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.562 HG21 ' CE1' ' A' ' 52' ' ' PHE . 85.7 t -70.55 95.38 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.492 ' CD1' ' HB3' ' A' ' 53' ' ' SER . 8.8 mt -48.31 -79.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.474 ' N ' ' CG2' ' A' ' 29' ' ' ILE . 43.2 t80 -137.42 121.47 17.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 ptm -114.86 146.39 41.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.5 m -161.35 154.76 21.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -74.79 104.73 5.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.463 ' HB ' ' CG1' ' A' ' 106' ' ' VAL . 10.3 m -106.88 179.16 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.434 HG22 ' CG ' ' A' ' 46' ' ' GLU . 2.2 t -133.26 115.14 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.521 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.6 tmm? -135.15 123.18 22.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.411 ' CB ' ' HB3' ' A' ' 45' ' ' GLU . 3.0 tm0? -128.61 169.81 13.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -111.82 105.53 14.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.628 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.12 -130.2 50.67 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -126.39 128.15 46.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 13.1 t -132.81 -63.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 108.295 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.424 ' C ' ' CG ' ' A' ' 43' ' ' GLU . 16.0 mt-10 -144.29 -59.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.424 ' CG ' ' C ' ' A' ' 42' ' ' GLU . 5.1 mt-10 -153.29 -178.06 6.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.35 155.52 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 36' ' ' MET . 4.7 tp10 -119.46 105.44 11.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.434 ' CG ' HG22 ' A' ' 35' ' ' VAL . 11.8 mt-10 -79.65 146.97 32.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.446 ' NH1' ' SD ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -162.72 172.77 14.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.273 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -120.33 119.54 33.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.572 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 2.1 m-30 -103.7 127.31 51.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -115.89 114.92 25.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.488 ' CD2' HD12 ' A' ' 124' ' ' LEU . 7.4 tp -90.86 113.9 26.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.594 ' CE2' HG13 ' A' ' 57' ' ' ILE . 8.5 m-30 -97.58 4.02 50.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.492 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 1.1 p 74.26 41.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.028 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 171.4 -29.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.969 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 56' ' ' LEU . 3.5 p -142.83 139.98 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.413 ' N ' HG23 ' A' ' 55' ' ' VAL . 1.7 tm? -100.99 95.79 6.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.594 HG13 ' CE2' ' A' ' 52' ' ' PHE . 8.4 mm -78.54 139.12 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.368 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.572 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 9.5 mtm -120.15 127.16 52.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 111.042 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.455 ' CD2' ' CD1' ' A' ' 14' ' ' ILE . 6.5 mp -122.72 156.37 34.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.3 p -140.14 130.43 25.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.036 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.97 106.87 15.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.471 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.1 OUTLIER 172.96 -54.72 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.019 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.3 Cg_endo -75.02 -179.02 4.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 64.25 -76.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 63' ' ' PRO . 4.2 ttp -178.69 -65.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.1 t -148.52 -173.25 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.031 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 71.07 -131.91 20.96 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -140.32 155.68 46.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.9 ttt -131.02 110.23 11.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -60.8 137.03 58.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -140.74 78.06 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 76.26 167.76 25.4 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -149.3 132.64 16.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.478 ' CD1' HD11 ' A' ' 104' ' ' ILE . 4.4 mt -102.59 113.87 65.65 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 132.18 15.18 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.479 1.778 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 21.3 mm -50.09 -41.48 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.82 121.77 7.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 84.83 -32.55 3.44 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.476 ' HE1' ' CG2' ' A' ' 74' ' ' ILE . 40.3 ttm -37.24 145.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 0.805 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.5 t -128.05 107.89 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.7 t -107.29 145.5 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 167.82 146.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -72.89 57.02 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -97.75 -179.13 4.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.48 ' CD1' ' N ' ' A' ' 94' ' ' PHE . 2.9 p90 -130.21 176.64 7.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -129.0 145.01 51.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 110.264 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.1 mt -119.73 99.39 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.499 ' CG2' ' HA ' ' A' ' 103' ' ' ARG . 11.3 p -113.26 -175.02 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.389 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -139.83 -72.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.051 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.4 t -100.51 -75.85 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.754 . . . . 0.0 109.975 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.3 t 179.88 53.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.426 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.439 ' O ' ' CG2' ' A' ' 101' ' ' VAL . 2.5 p -178.77 52.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.369 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' ' 103' ' ' ARG . 0.3 OUTLIER -146.99 -70.62 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.262 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.499 ' HA ' ' CG2' ' A' ' 97' ' ' THR . 22.0 ttt180 43.03 94.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.497 ' CG2' ' HG3' ' A' ' 36' ' ' MET . 6.7 mt -103.67 106.53 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 28.7 t -82.69 98.19 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.463 ' CG1' ' HB ' ' A' ' 34' ' ' VAL . 43.2 t -91.65 115.45 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -72.28 162.83 28.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.596 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 109' ' ' ASN . 5.8 p -170.15 -47.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 108.311 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 108' ' ' CYS . 4.8 t-20 82.33 18.56 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 65.25 85.57 0.14 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -131.24 -172.62 2.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.6 -63.84 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -40.2 -52.14 2.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.575 ' CE1' ' HG3' ' A' ' 118' ' ' MET . 23.3 t80 -48.4 -59.6 3.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -38.09 -64.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.321 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.7 OUTLIER -42.28 -58.14 2.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.468 ' CZ2' ' O ' ' A' ' 30' ' ' PHE . 59.4 m95 -47.59 -47.33 28.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 108.002 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.575 ' HG3' ' CE1' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -67.57 -26.24 66.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 0.0 111.041 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -70.65 -53.43 15.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.295 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 123' ' ' ARG . 6.9 pt20 -68.58 -55.88 10.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 5.8 mt -49.5 -24.02 1.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.4 OUTLIER -69.65 -28.1 65.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 120' ' ' GLN . 2.5 ptp180 -105.68 -36.43 7.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.488 HD12 ' CD2' ' A' ' 51' ' ' LEU . 23.2 mt -56.59 -81.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 71.1 p -42.39 -43.81 3.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.364 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 5.4 mttt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -79.7 154.33 75.89 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 128.65 11.64 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.484 1.781 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.474 ' CG2' ' HB2' ' A' ' 70' ' ' TYR . 5.5 mt -85.17 110.95 19.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.532 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 4.4 tt0 -49.67 134.76 19.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . 86.5 -42.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.571 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 31.6 t-105 -39.54 114.4 0.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 107.989 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -155.31 137.51 14.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.078 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.72 -94.95 0.5 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -100.54 165.58 11.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.02 169.16 18.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.571 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 3.7 tt -92.79 -33.17 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -73.91 -7.1 51.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.7 t -87.74 -24.57 23.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.4 mt -77.49 -77.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 174.36 164.55 29.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -61.31 170.68 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.475 HG22 ' CE1' ' A' ' 52' ' ' PHE . 74.1 t -93.19 102.1 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.48 ' CD1' ' HB3' ' A' ' 53' ' ' SER . 44.1 mt -54.13 -78.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.57 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.5 OUTLIER -129.09 126.25 38.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 111.025 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.448 ' CG ' ' O ' ' A' ' 31' ' ' MET . 13.1 ptm -127.15 127.5 44.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.7 p -154.57 150.88 28.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.04 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -73.46 104.82 4.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.2 m -105.3 177.57 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 t -126.41 112.71 30.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.483 ' HG3' ' CG2' ' A' ' 104' ' ' ILE . 1.7 tmm? -133.09 123.69 26.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.457 ' HB3' ' CG ' ' A' ' 45' ' ' GLU . 4.9 pt20 -128.91 -174.47 3.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -99.54 -59.17 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.575 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -157.42 -125.5 0.85 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.78 86.46 2.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.1 m -108.6 177.03 4.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 108.258 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.24 -72.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' LYS . 12.9 mt-10 -142.95 178.57 7.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' GLU . 38.2 mttm -39.61 140.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.457 ' CG ' ' HB3' ' A' ' 37' ' ' GLN . 5.8 mm-40 -103.44 82.41 2.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -70.03 140.07 52.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 0.0 OUTLIER -154.37 174.64 14.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -119.67 118.77 31.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 111.018 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.542 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 2.1 m-30 -107.37 118.16 35.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.404 HD21 ' CE ' ' A' ' 31' ' ' MET . 1.6 mt -108.55 110.18 21.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.505 HD22 ' CZ3' ' A' ' 117' ' ' TRP . 7.0 tp -85.8 112.77 21.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.601 ' CE2' HG13 ' A' ' 57' ' ' ILE . 6.8 m-30 -94.56 4.43 53.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.48 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 1.3 p 74.4 42.5 0.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.64 -28.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.006 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.6 p -143.03 144.66 23.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.531 HD22 ' CG ' ' A' ' 49' ' ' PHE . 2.2 tm? -102.72 94.37 5.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.601 HG13 ' CE2' ' A' ' 52' ' ' PHE . 15.1 mm -77.35 130.38 36.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.542 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 32.5 mtm -112.74 121.93 46.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.409 ' CD2' HD11 ' A' ' 14' ' ' ILE . 3.7 mp -122.07 160.14 25.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 47' ' ' ARG . 22.7 t -150.25 153.9 37.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.04 98.05 5.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.68 168.35 12.8 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.974 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 69.81 5.49 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.535 1.808 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.97 -58.21 1.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 169.69 -35.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.66 -176.35 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.993 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.8 146.2 19.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 12.3 m-30 -106.48 135.15 48.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 110.983 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.0 ttt -105.62 125.59 51.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.503 ' CD1' ' CE3' ' A' ' 17' ' ' TRP . 68.8 t80 -88.18 106.64 18.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.413 ' HG2' ' NH2' ' A' ' 47' ' ' ARG . 6.8 mm-40 -80.11 -67.81 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -151.43 174.67 30.54 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -130.91 152.53 50.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 109.267 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.602 ' CG2' ' CE ' ' A' ' 79' ' ' MET . 6.3 mt -131.77 121.61 18.17 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.13 8.4 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.782 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.418 ' HA ' ' CB ' ' A' ' 79' ' ' MET . 32.0 mm -50.23 -25.56 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.73 -67.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.65 -6.7 59.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.602 ' CE ' ' CG2' ' A' ' 74' ' ' ILE . 4.5 ttm -70.72 134.87 47.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 110.984 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.1 t -124.16 109.21 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.1 t -117.27 147.49 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.0 p30 177.24 128.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -40.99 114.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.494 ' CD1' ' HG2' ' A' ' 95' ' ' GLU . 8.7 mp . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 84.8 mtp 51.23 175.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.559 ' CE1' ' HB ' ' A' ' 106' ' ' VAL . 3.1 p90 -162.4 174.37 12.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.494 ' HG2' ' CD1' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -128.01 155.15 44.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.402 ' O ' ' HB ' ' A' ' 104' ' ' ILE . 16.2 mt -128.22 91.9 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.373 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.463 ' CG2' ' OE2' ' A' ' 95' ' ' GLU . 15.7 p -102.7 -175.44 2.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.435 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 111.72 98.46 2.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.8 p 179.55 -59.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.405 HG22 ' CG1' ' A' ' 101' ' ' VAL . 11.5 t -167.17 -48.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.362 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.405 ' CG1' HG22 ' A' ' 100' ' ' THR . 2.5 p -179.14 57.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -141.46 142.97 33.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 -123.2 132.84 54.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.483 ' CG2' ' HG3' ' A' ' 36' ' ' MET . 9.2 mt -105.99 116.97 50.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.9 t -98.05 98.01 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.559 ' HB ' ' CE1' ' A' ' 94' ' ' PHE . 17.1 t -82.72 109.15 16.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.231 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.4 ' O ' ' SG ' ' A' ' 108' ' ' CYS . 4.4 m-70 -70.11 147.1 50.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.599 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 107' ' ' HIS . 0.8 OUTLIER 167.51 88.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 108.274 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 -40.23 -54.61 2.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.7 t30 173.02 156.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 114' ' ' PHE . 0.7 OUTLIER 167.12 142.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 0.0 109.254 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -42.98 -30.64 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.77 -50.0 66.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.476 ' CE2' ' HG3' ' A' ' 118' ' ' MET . 52.5 t80 -53.25 -48.86 67.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -45.37 -54.26 7.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 119' ' ' GLU . 1.5 tt0 -49.57 -58.06 5.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.57 ' CZ2' ' O ' ' A' ' 30' ' ' PHE . 61.1 m95 -44.55 -50.81 9.42 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.476 ' HG3' ' CE2' ' A' ' 114' ' ' PHE . 89.2 mmm -67.54 -29.0 68.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -71.83 -51.54 21.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.459 ' O ' ' CG ' ' A' ' 123' ' ' ARG . 9.1 pt20 -67.62 -56.49 9.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.332 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.41 ' N ' ' CG ' ' A' ' 120' ' ' GLN . 7.9 mt -50.05 -23.88 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 118' ' ' MET . 0.3 OUTLIER -70.14 -30.12 67.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.459 ' CG ' ' O ' ' A' ' 120' ' ' GLN . 12.2 ptm180 -102.98 -38.35 7.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.477 HD13 ' CD2' ' A' ' 51' ' ' LEU . 18.9 mt -53.5 -74.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 69.9 p -46.07 -57.87 4.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.418 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -43.81 166.36 0.11 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 147.02 33.65 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.507 1.793 . . . . 0.0 111.061 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.464 HD11 ' CD2' ' A' ' 59' ' ' LEU . 9.3 mt -71.68 132.83 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -67.41 153.16 44.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 50.84 51.66 16.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.566 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 68.5 t-105 -99.92 137.45 38.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 108.002 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -141.65 138.74 32.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.259 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 145.66 -117.04 0.94 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.39 -50.7 1.0 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.446 ' O ' ' CG2' ' A' ' 24' ' ' THR . 0.2 OUTLIER -173.47 143.31 1.04 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.362 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.566 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 9.9 tt -74.44 -15.12 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -92.65 -6.58 49.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.446 ' CG2' ' O ' ' A' ' 21' ' ' ASP . 4.3 t -88.26 -24.81 23.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.406 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.4 ' N ' HG23 ' A' ' 24' ' ' THR . 82.5 mt -73.85 -81.85 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.01 162.79 28.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -60.43 167.44 2.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 31' ' ' MET . 64.9 t -94.24 102.07 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 53' ' ' SER . 13.7 mt -55.62 -78.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.598 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.5 OUTLIER -121.07 121.68 38.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.483 ' HB2' ' CG1' ' A' ' 28' ' ' VAL . 11.9 ttm -125.51 127.94 47.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.39 172.17 17.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -85.91 106.64 17.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.429 ' HB ' ' CG1' ' A' ' 106' ' ' VAL . 4.2 m -106.14 176.65 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 t -131.86 118.85 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.501 ' HG3' ' CG2' ' A' ' 104' ' ' ILE . 1.2 tmm? -138.83 119.31 13.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -112.72 149.27 33.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.343 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -79.02 -68.45 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.586 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -136.25 -124.52 2.38 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.473 1.108 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -111.28 112.31 23.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 0.8 . . . . 0.0 109.252 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.7 t -126.8 -74.11 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 108.315 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.416 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 0.6 OUTLIER -137.17 -79.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.261 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.416 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 5.1 mm-40 -138.78 -169.67 2.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -47.35 147.48 1.6 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 36' ' ' MET . 17.6 tt0 -111.11 98.68 7.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -82.39 130.15 35.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 110.249 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.514 ' NE ' ' HG ' ' A' ' 60' ' ' SER . 0.1 OUTLIER -147.96 178.93 8.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 110.315 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -117.56 134.46 54.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.574 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 1.6 m-30 -120.58 125.32 47.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.448 ' CD1' HD22 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -115.25 112.57 22.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.573 HD22 ' CE3' ' A' ' 117' ' ' TRP . 6.3 tp -87.22 113.56 23.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.584 ' CE2' HG13 ' A' ' 57' ' ' ILE . 6.3 m-30 -99.75 5.86 45.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.481 ' HB2' ' CD1' ' A' ' 29' ' ' ILE . 48.2 t 68.5 40.5 1.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.955 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 t 178.71 -30.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.034 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.3 p -148.41 146.63 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.561 HD13 ' CZ ' ' A' ' 49' ' ' PHE . 3.1 tm? -99.75 93.75 5.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.584 HG13 ' CE2' ' A' ' 52' ' ' PHE . 26.2 mm -75.71 129.27 37.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.574 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 18.5 mtm -113.11 133.61 54.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.464 ' CD2' HD11 ' A' ' 14' ' ' ILE . 5.9 mp -122.39 159.17 28.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.514 ' HG ' ' NE ' ' A' ' 47' ' ' ARG . 3.7 m -141.37 133.84 28.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.74 -173.71 2.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.47 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.1 OUTLIER 173.23 -55.13 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.4 Cg_endo -75.0 -174.36 1.91 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.4 ' O ' ' CG ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -133.48 67.8 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.29 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.9 ptm 173.06 -35.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.01 158.04 25.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.984 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.72 -118.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -127.2 170.65 12.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.746 . . . . 0.0 111.051 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.0 ttt -127.4 115.96 19.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.469 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 2.7 t80 -67.49 140.92 57.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -144.0 95.11 2.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.277 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 61.66 163.97 0.28 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.3 pttt -149.78 125.49 10.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.486 ' HB ' ' CE ' ' A' ' 79' ' ' MET . 7.9 mt -98.92 121.81 54.7 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 127.45 10.67 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.48 ' HA ' ' CB ' ' A' ' 79' ' ' MET . 16.2 mm -56.98 -24.39 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.9 -67.64 0.25 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -88.03 24.47 11.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.486 ' CE ' ' HB ' ' A' ' 74' ' ' ILE . 35.9 ttm -90.71 131.56 36.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 41.5 t -113.7 108.11 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.0 t -102.36 149.95 6.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -179.54 146.48 0.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -85.77 47.56 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.277 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 83' ' ' ARG . 4.0 mm? . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.7 ptm 172.9 176.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.506 ' CE1' ' HB ' ' A' ' 106' ' ' VAL . 2.2 p90 -160.06 164.86 32.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -124.75 132.13 53.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.259 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 76.7 mt -102.63 96.69 4.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.513 ' CG2' ' HA ' ' A' ' 103' ' ' ARG . 49.0 p -105.87 -175.57 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.414 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -148.26 -47.14 0.03 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.89 44.96 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 0.796 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.424 ' C ' HG23 ' A' ' 101' ' ' VAL . 41.4 p 45.63 41.92 7.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.411 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.424 HG23 ' C ' ' A' ' 100' ' ' THR . 58.8 t -142.09 -45.82 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 103' ' ' ARG . 4.4 tp10 -61.16 -65.27 0.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.513 ' HA ' ' CG2' ' A' ' 97' ' ' THR . 11.9 ttt180 49.04 99.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.501 ' CG2' ' HG3' ' A' ' 36' ' ' MET . 6.2 mt -112.08 109.82 29.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 40.7 t -90.27 97.84 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.506 ' HB ' ' CE1' ' A' ' 94' ' ' PHE . 20.8 t -84.36 137.81 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -108.36 164.93 11.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.577 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 176.47 133.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 108.251 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -100.22 -43.46 6.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.435 ' O ' ' CB ' ' A' ' 111' ' ' ASN . 9.1 m-80 -43.68 -48.14 7.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 110' ' ' ASN . 1.6 t30 77.14 -57.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.43 -47.39 1.8 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 2.4 m-20 -67.59 -58.74 4.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 117' ' ' TRP . 6.0 t80 -45.7 -54.87 7.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -38.75 -38.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.58 -50.38 45.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.598 ' CZ2' ' O ' ' A' ' 30' ' ' PHE . 42.1 m95 -44.97 -44.09 9.57 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 87.7 mmm -63.36 -41.0 98.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -68.33 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.341 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.405 ' O ' ' HG ' ' A' ' 124' ' ' LEU . 0.8 OUTLIER -49.1 -57.55 6.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.317 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 117' ' ' TRP . 8.3 mt -45.61 -52.73 10.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -42.45 -28.63 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.408 ' N ' ' C ' ' A' ' 121' ' ' LEU . 29.8 ttt180 -95.83 -59.52 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.476 HD12 ' CD2' ' A' ' 51' ' ' LEU . 8.2 mt -43.07 -70.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 43.0 p -57.11 -49.84 74.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.1 mttm . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -110.83 160.81 27.4 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 164.34 33.57 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.458 ' CD1' ' CD2' ' A' ' 59' ' ' LEU . 4.6 mt -84.76 151.15 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.461 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 12.1 tt0 -92.22 129.86 38.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . 80.65 23.32 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.608 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 60.8 t-105 -79.16 115.34 18.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 108.026 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -127.09 126.64 43.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.35 -153.77 17.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -65.24 -161.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 0.765 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -82.86 175.56 9.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.608 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 5.0 tt -97.18 -23.35 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -91.92 -2.85 56.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.8 t -94.24 -22.52 18.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.444 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 45.7 mt -67.1 -80.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.76 45.78 0.21 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.563 1.164 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.604 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER 44.37 -166.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.577 HG22 ' CE1' ' A' ' 52' ' ' PHE . 65.4 t -116.98 116.9 53.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.495 ' CD1' ' HB2' ' A' ' 53' ' ' SER . 21.1 mt -78.17 -73.98 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 113' ' ' ASP . 0.3 OUTLIER -126.75 121.79 32.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.5 ptm -128.04 133.48 49.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 111.045 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.37 168.17 24.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -86.39 106.33 17.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.427 ' HB ' ' CG1' ' A' ' 106' ' ' VAL . 21.7 m -108.05 171.24 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.573 HG11 ' CD2' ' A' ' 107' ' ' HIS . 0.9 OUTLIER -121.3 109.88 26.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.453 ' HE3' ' CZ ' ' A' ' 49' ' ' PHE . 1.3 tmm? -133.46 119.53 19.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.47 147.59 50.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -42.96 -64.2 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.549 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -168.81 -81.09 0.05 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -126.55 86.95 2.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 0.789 . . . . 0.0 109.28 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 58.2 m -106.52 -72.98 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 108.275 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -143.66 -67.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -148.91 175.29 11.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -42.03 136.83 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 36' ' ' MET . 19.8 tt0 -107.3 99.86 9.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -78.34 136.61 37.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.9 166.93 31.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.22 137.61 46.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.453 ' CZ ' ' HE3' ' A' ' 36' ' ' MET . 1.7 m-30 -122.03 118.93 29.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.26 110.07 21.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.488 ' CD2' HD12 ' A' ' 124' ' ' LEU . 9.9 tp -86.83 114.44 23.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.615 ' CE2' HG13 ' A' ' 57' ' ' ILE . 7.9 m-30 -100.73 9.34 42.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.495 ' HB2' ' CD1' ' A' ' 29' ' ' ILE . 4.2 t 65.71 42.61 3.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.418 ' N ' HG13 ' A' ' 76' ' ' ILE . 0.3 OUTLIER 175.81 -30.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.482 ' CG2' ' HD3' ' A' ' 73' ' ' LYS . 9.6 p -146.08 149.0 16.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.473 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 2.5 tm? -105.15 92.66 4.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.615 HG13 ' CE2' ' A' ' 52' ' ' PHE . 12.0 mm -76.61 128.66 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.435 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 11.6 mtm -108.47 132.55 53.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 68' ' ' PHE . 8.2 mp -126.59 158.75 35.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.0 m -142.8 148.44 37.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.09 87.06 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.475 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -79.67 -53.56 1.0 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.984 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 62' ' ' SER . 18.3 Cg_endo -74.97 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.41 175.78 1.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.1 ttp -60.57 161.41 7.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.9 t 76.66 103.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.958 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.51 137.44 7.55 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.504 1.128 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 59' ' ' LEU . 13.9 m-85 -127.75 169.92 13.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 16.5 ttt -132.18 119.02 20.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.498 ' OH ' ' CG ' ' A' ' 73' ' ' LYS . 72.2 t80 -62.98 141.64 58.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -137.54 66.31 1.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.345 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.81 171.38 19.47 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.498 ' CG ' ' OH ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -143.22 164.62 29.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.761 . . . . 0.0 109.325 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.485 HD12 ' CD1' ' A' ' 104' ' ' ILE . 7.7 mt -135.14 130.04 19.16 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.98 136.09 19.97 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.418 HG13 ' N ' ' A' ' 54' ' ' SER . 15.9 mm -61.09 -21.6 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.57 -81.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.2 -20.34 4.72 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.482 ' CE ' ' HB ' ' A' ' 74' ' ' ILE . 5.2 tpp -46.63 153.94 0.34 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 0.753 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.2 t -142.8 105.04 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.2 t -111.08 140.78 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -178.08 129.93 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -42.13 118.3 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.469 ' CD2' ' HG2' ' A' ' 95' ' ' GLU . 13.1 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 58.5 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.81 175.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.415 ' CD1' ' HE1' ' A' ' 114' ' ' PHE . 4.1 p90 -152.35 155.22 37.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.469 ' HG2' ' CD2' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -112.22 156.4 22.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.1 mt -127.93 91.34 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.404 ' CG2' ' HG3' ' A' ' 103' ' ' ARG . 32.2 p -111.22 -176.02 2.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 99' ' ' SER . . . 131.94 -47.06 1.03 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.434 1.084 . . . . 0.0 111.032 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 98' ' ' GLY . 1.1 t -39.31 -63.41 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.751 . . . . 0.0 109.983 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 52.5 m -152.75 -71.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 102' ' ' GLU . 43.4 t -141.72 -45.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 101' ' ' VAL . 2.1 tt0 -37.46 136.3 0.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.44 ' NE ' ' OE1' ' A' ' 95' ' ' GLU . 19.4 ttm105 -112.89 121.11 43.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.485 ' CD1' HD12 ' A' ' 74' ' ' ILE . 4.8 mt -85.01 106.12 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.406 1.066 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 41.9 t -96.58 98.26 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.427 ' CG1' ' HB ' ' A' ' 34' ' ' VAL . 8.0 t -83.6 117.66 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.573 ' CD2' HG11 ' A' ' 35' ' ' VAL . 2.2 m-70 -70.1 141.07 52.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.612 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.449 ' CB ' ' O ' ' A' ' 107' ' ' HIS . 0.6 OUTLIER 163.55 101.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.138 . . . . 0.0 108.26 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -50.22 -54.4 21.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.416 ' O ' ' O ' ' A' ' 111' ' ' ASN . 58.0 t30 -163.06 -66.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.416 ' O ' ' O ' ' A' ' 110' ' ' ASN . 4.3 m120 49.08 -177.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -97.84 -45.23 6.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 4.0 m-20 -45.73 -64.38 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.479 ' CE1' ' HG3' ' A' ' 118' ' ' MET . 14.0 t80 -41.49 -52.86 3.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -37.86 -41.68 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.334 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -67.74 -48.19 67.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.509 ' CZ2' ' O ' ' A' ' 30' ' ' PHE . 51.1 m95 -45.82 -48.14 15.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 108.025 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.479 ' HG3' ' CE1' ' A' ' 114' ' ' PHE . 2.5 mtp -67.18 -29.0 68.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 116' ' ' GLU . 2.4 tt0 -70.59 -51.69 26.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.512 ' O ' ' CG ' ' A' ' 123' ' ' ARG . 10.7 pt20 -68.79 -55.53 10.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.423 ' O ' ' OG1' ' A' ' 125' ' ' THR . 4.9 mt -48.91 -24.83 1.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.3 OUTLIER -67.0 -26.54 66.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.512 ' CG ' ' O ' ' A' ' 120' ' ' GLN . 15.2 ptt180 -105.29 -27.85 11.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.488 HD12 ' CD2' ' A' ' 51' ' ' LEU . 10.3 mt -70.32 -65.93 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 121' ' ' LEU . 29.0 p -61.08 -57.04 14.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.443 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -42.89 157.26 0.24 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.259 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 156.44 42.83 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.45 1.763 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.475 HD11 ' CD2' ' A' ' 59' ' ' LEU . 6.9 mt -70.18 130.95 34.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -72.27 148.2 45.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 73.44 5.09 4.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.591 ' CH2' ' CD1' ' A' ' 22' ' ' ILE . 63.1 t-105 -72.46 127.23 31.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 107.983 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -131.16 176.09 8.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.11 -126.72 7.83 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.523 1.14 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -107.48 -177.04 3.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 0.754 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -59.86 160.45 7.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.591 ' CD1' ' CH2' ' A' ' 17' ' ' TRP . 6.6 tt -82.01 -27.32 9.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.418 ' N ' HG21 ' A' ' 22' ' ' ILE . 2.6 mmmt -60.94 -15.18 28.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.4 p -74.48 -30.65 61.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.452 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.1 mt -75.62 -56.03 5.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 155.43 -128.84 2.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.562 1.164 . . . . 0.0 110.975 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.494 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 43.9 p-10 -123.44 -161.79 1.0 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 0.751 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.543 HG22 ' CE1' ' A' ' 52' ' ' PHE . 92.5 t -117.23 104.3 16.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 53' ' ' SER . 30.8 mt -59.94 -75.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.477 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.3 OUTLIER -124.74 120.55 32.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.962 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.415 ' HB2' ' CG1' ' A' ' 28' ' ' VAL . 21.6 ttm -121.5 127.45 51.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.89 168.77 25.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -86.57 105.51 16.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 m -105.02 179.2 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 t -137.5 117.31 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.503 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.6 tmm? -137.94 121.9 17.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.432 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 1.5 tp60 -126.11 145.93 50.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.405 ' CD2' ' C ' ' A' ' 38' ' ' HIS . 0.6 OUTLIER -46.5 -64.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.6 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.75 -129.18 1.11 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.46 1.1 . . . . 0.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.62 94.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 72.3 m -133.79 172.78 12.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 108.307 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.433 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 10.9 mt-10 -39.67 -73.73 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.113 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.433 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 3.8 mm-40 -134.9 -168.39 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 pttp -67.89 157.62 34.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 36' ' ' MET . 4.9 tp10 -114.48 109.17 17.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.42 132.66 34.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.259 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -152.67 170.38 20.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.62 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -109.87 134.18 52.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.557 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 1.9 m-30 -118.92 121.76 40.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.06 109.35 19.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.572 HD23 ' CZ3' ' A' ' 117' ' ' TRP . 8.7 tp -86.87 112.51 21.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.608 ' CE2' HG13 ' A' ' 57' ' ' ILE . 8.0 m-30 -96.44 -5.34 39.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER 84.06 -13.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.18 -2.92 6.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.958 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.434 HG21 ' N ' ' A' ' 56' ' ' LEU . 7.5 p -176.23 150.15 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.492 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 1.6 tm? -104.81 94.33 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.608 HG13 ' CE2' ' A' ' 52' ' ' PHE . 7.6 mm -77.4 138.08 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.557 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 27.7 mtm -120.57 133.57 55.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.539 ' HB3' ' CD1' ' A' ' 68' ' ' PHE . 6.9 mp -122.24 155.89 34.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.3 p -148.73 127.72 12.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.97 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.77 95.99 8.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.471 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -78.93 -54.49 1.04 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.005 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.2 Cg_endo -75.0 -20.27 17.02 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.22 89.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.433 ' CE ' ' HA ' ' A' ' 65' ' ' MET . 2.6 tpt -178.98 167.76 1.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.6 m -39.74 119.15 0.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.004 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.51 170.66 18.19 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.62 ' CZ ' ' CD2' ' A' ' 48' ' ' TYR . 5.9 m-85 -134.23 173.81 11.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 0.79 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 23.6 ttt -129.85 108.76 10.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.46 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 33.2 t80 -57.8 144.31 38.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -154.36 103.39 2.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.269 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.84 156.84 0.02 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -144.34 134.38 24.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.783 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.477 ' CD1' HD11 ' A' ' 104' ' ' ILE . 2.0 mt -106.64 114.21 62.14 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 133.27 16.31 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.466 1.772 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.429 HG12 ' N ' ' A' ' 55' ' ' VAL . 42.2 mm -47.46 -34.38 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.81 132.46 46.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.65 -3.75 40.59 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.471 ' HE3' ' CG2' ' A' ' 74' ' ' ILE . 19.9 ttm -63.75 140.67 58.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 0.783 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.5 t -120.7 107.93 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.234 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.2 t -130.32 152.65 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.5 p30 175.04 175.73 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.14 -0.03 26.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.401 HD22 ' CG ' ' A' ' 95' ' ' GLU . 83.7 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 26.5 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -173.59 176.93 2.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.544 ' CE1' ' HB ' ' A' ' 106' ' ' VAL . 6.2 p90 -146.92 158.38 43.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.486 ' OE1' ' CD ' ' A' ' 103' ' ' ARG . 19.1 pt-20 -118.51 167.39 11.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.302 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.8 mt -135.32 98.78 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 39.3 p -125.43 -175.51 3.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.402 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 124.05 135.34 4.46 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.8 t 70.49 -68.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 110.03 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.8 p -64.37 -142.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.2 p -144.55 -46.36 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.37 134.78 53.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.486 ' CD ' ' OE1' ' A' ' 95' ' ' GLU . 38.0 ttp180 -95.05 127.44 41.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.477 HD11 ' CD1' ' A' ' 74' ' ' ILE . 1.5 mt -91.42 106.77 17.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 25.2 t -95.83 97.55 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.544 ' HB ' ' CE1' ' A' ' 94' ' ' PHE . 11.2 t -82.71 120.12 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -71.41 163.05 28.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.576 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.566 ' CB ' ' CD1' ' A' ' 114' ' ' PHE . 13.9 p -153.71 160.76 42.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 108.31 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -121.03 16.16 11.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.5 m120 61.8 90.1 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -157.61 175.8 13.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -33.0 68.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.32 -51.38 67.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.566 ' CD1' ' CB ' ' A' ' 108' ' ' CYS . 55.2 t80 -51.37 -55.51 18.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.585 1.178 . . . . 0.0 111.045 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.06 -51.19 64.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.343 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.92 -61.41 1.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.13 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.572 ' CZ3' HD23 ' A' ' 51' ' ' LEU . 47.5 m95 -42.78 -52.82 4.86 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 93.5 mmm -61.56 -42.43 98.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -61.95 1.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 123' ' ' ARG . 10.7 pt20 -60.15 -55.55 32.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.4 ' O ' ' OG1' ' A' ' 125' ' ' THR . 6.5 mt -45.26 -30.21 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.16 -40.59 78.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 120' ' ' GLN . 1.5 ptm180 -83.48 -30.42 27.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.505 HD11 ' CD2' ' A' ' 51' ' ' LEU . 9.0 mt -67.4 -72.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 121' ' ' LEU . 47.9 p -57.15 -61.42 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.373 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.6 mttp . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -96.83 160.3 29.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 160.0 40.55 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.446 HD12 ' CD2' ' A' ' 59' ' ' LEU . 16.1 mt -83.86 139.84 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.425 ' N ' HG23 ' A' ' 14' ' ' ILE . 1.2 tt0 -77.32 138.25 39.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 63.29 42.49 6.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.532 ' CZ2' HD12 ' A' ' 22' ' ' ILE . 73.8 t-105 -101.76 105.69 16.6 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -111.78 155.78 23.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 110.319 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.52 -84.69 0.25 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.533 1.146 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.35 -64.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.747 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.447 ' HB2' ' CG2' ' A' ' 24' ' ' THR . 0.7 OUTLIER -154.39 151.82 29.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.532 HD12 ' CZ2' ' A' ' 17' ' ' TRP . 7.7 tt -84.65 -25.6 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.74 -15.0 63.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.447 ' CG2' ' HB2' ' A' ' 21' ' ' ASP . 41.0 p -69.84 -33.45 72.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.2 mt -73.64 -74.98 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 174.48 -133.88 2.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -117.37 179.09 4.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.478 HG23 ' CE1' ' A' ' 52' ' ' PHE . 80.2 t -101.85 101.54 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.486 ' CD1' ' HB2' ' A' ' 53' ' ' SER . 42.3 mt -59.67 -78.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.479 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.8 OUTLIER -120.08 119.91 34.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.461 ' CE ' HD23 ' A' ' 50' ' ' LEU . 32.7 ttm -121.6 114.97 21.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.12 166.77 25.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -88.66 106.92 18.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.456 ' HB ' ' CG1' ' A' ' 106' ' ' VAL . 16.3 m -105.32 176.37 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.48 ' CG2' ' HG3' ' A' ' 46' ' ' GLU . 2.5 t -124.78 117.48 50.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.499 ' HG3' ' CG2' ' A' ' 104' ' ' ILE . 1.1 tmm? -139.4 120.83 15.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -122.94 171.76 8.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.39 179.02 4.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.583 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.8 91.85 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 111.04 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 62.76 145.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.324 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.6 t -173.3 -59.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 108.305 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -174.32 -82.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 110.245 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -139.98 -178.87 5.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.447 ' HZ1' ' CE1' ' A' ' 107' ' ' HIS . 12.1 mmtt -39.44 136.73 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 36' ' ' MET . 24.6 tt0 -112.68 92.59 4.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.48 ' HG3' ' CG2' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -70.39 147.55 49.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.86 177.91 8.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -119.8 131.24 55.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.578 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 1.9 m-30 -119.26 114.15 21.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.461 HD23 ' CE ' ' A' ' 31' ' ' MET . 0.8 OUTLIER -102.45 112.48 25.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.582 HD22 ' CZ3' ' A' ' 117' ' ' TRP . 6.6 tp -84.97 113.75 21.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.606 ' CE2' HG13 ' A' ' 57' ' ' ILE . 6.4 m-30 -101.74 6.29 41.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.488 ' HA ' ' CD1' ' A' ' 124' ' ' LEU . 8.4 t 65.61 50.56 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.024 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.6 OUTLIER 161.37 -22.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.425 HG22 ' N ' ' A' ' 56' ' ' LEU . 2.8 p -151.71 140.05 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.513 HD23 ' CG ' ' A' ' 49' ' ' PHE . 2.3 tm? -101.84 95.01 6.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.606 HG13 ' CE2' ' A' ' 52' ' ' PHE . 14.1 mm -75.9 126.27 36.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.578 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 39.5 mtm -109.48 137.04 47.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.446 ' CD2' HD12 ' A' ' 14' ' ' ILE . 4.3 mp -127.39 161.87 27.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.6 p -135.41 132.88 38.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.28 157.51 33.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.492 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.1 OUTLIER 176.21 -55.82 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.968 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.492 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.3 Cg_endo -75.02 118.84 5.41 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.454 1.766 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -78.98 84.68 4.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.7 ttp -176.83 -57.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.9 t -87.88 161.92 17.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.78 -110.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -124.25 157.85 33.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 111.046 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.5 ttt -114.93 130.66 56.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -90.28 128.79 36.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -104.24 -61.16 1.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -155.6 170.1 33.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -137.33 133.99 35.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.754 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.502 ' CG2' ' HE2' ' A' ' 79' ' ' MET . 4.0 mt -104.61 120.96 48.66 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 124.9 9.0 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.455 1.766 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 21.3 mm -42.75 -35.94 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.86 121.73 9.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.1 -17.48 17.36 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.502 ' HE2' ' CG2' ' A' ' 74' ' ' ILE . 33.1 ttm -56.79 120.56 8.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.773 . . . . 0.0 110.949 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.6 t -105.1 106.89 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.472 HG21 ' CD2' ' A' ' 121' ' ' LEU . 7.2 t -111.67 150.03 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 30.0 p30 171.62 170.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 84' ' ' LEU . 11.5 ptt-85 -89.39 37.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 83' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 8.6 m . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 21.9 ptm -179.79 149.85 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -150.73 159.37 44.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.468 ' HB2' ' CG ' ' A' ' 103' ' ' ARG . 6.3 pt-20 -104.19 155.31 18.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.1 mt -128.29 93.62 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.353 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.8 p -109.25 -174.92 2.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.411 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 125.14 84.97 0.59 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.66 -66.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 0.791 . . . . 0.0 109.96 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.482 ' O ' ' CG2' ' A' ' 101' ' ' VAL . 2.7 m -159.83 -63.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.392 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 100' ' ' THR . 97.1 t -156.64 57.7 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.416 ' HG2' ' N ' ' A' ' 103' ' ' ARG . 8.1 tt0 -129.77 142.34 50.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.468 ' CG ' ' HB2' ' A' ' 95' ' ' GLU . 54.3 ttp180 -135.06 117.85 16.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.499 ' CG2' ' HG3' ' A' ' 36' ' ' MET . 10.6 mt -95.45 104.54 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 36.9 t -82.89 97.86 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.456 ' CG1' ' HB ' ' A' ' 34' ' ' VAL . 40.1 t -88.06 114.34 26.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.447 ' CE1' ' HZ1' ' A' ' 44' ' ' LYS . 10.7 m-70 -81.5 127.47 32.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.566 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 92.7 m -115.98 164.53 14.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 0.0 108.352 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -138.08 -49.04 0.55 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.53 161.43 27.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -102.95 -55.55 2.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -54.01 -56.63 16.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.11 -57.17 13.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -47.24 -52.87 14.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -47.04 -56.73 5.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -45.71 -59.82 2.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.582 ' CZ3' HD22 ' A' ' 51' ' ' LEU . 46.9 m95 -43.12 -54.76 4.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.027 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 94.6 mmm -57.18 -42.33 80.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -56.95 -69.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 123' ' ' ARG . 1.8 pt20 -51.35 -56.55 12.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.472 ' CD2' HG21 ' A' ' 81' ' ' VAL . 5.9 mt -42.87 -53.7 4.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -45.68 -42.2 11.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 120' ' ' GLN . 6.6 ttm180 -73.45 -59.06 2.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.506 HD12 ' CD2' ' A' ' 51' ' ' LEU . 8.2 mt -46.86 -77.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 82.1 p -42.45 -69.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.387 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.9 tttt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -61.62 147.74 88.01 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.7 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.501 1.79 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.46 HD12 ' CD2' ' A' ' 59' ' ' LEU . 3.2 mt -107.11 148.51 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.536 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 7.9 tt0 -98.94 140.11 33.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.536 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . 87.42 -16.99 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.51 ' CH2' HD13 ' A' ' 22' ' ' ILE . 27.6 t-105 -53.62 109.05 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 108.006 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -132.98 161.74 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.71 -135.02 21.32 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.82 151.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -87.47 166.92 14.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.51 HD13 ' CH2' ' A' ' 17' ' ' TRP . 7.0 tt -86.95 -35.77 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.422 ' N ' HG21 ' A' ' 22' ' ' ILE . 1.6 mmmt -51.15 -24.24 3.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.4 p -62.48 -35.21 78.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.381 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.71 -75.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.521 ' O ' ' CB ' ' A' ' 27' ' ' ASN . . . 64.38 154.08 0.11 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.509 1.131 . . . . 0.0 111.052 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.521 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 1.2 t30 83.91 129.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 0.749 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.543 HG23 ' CE1' ' A' ' 52' ' ' PHE . 53.5 t -130.14 93.08 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.5 ' CD1' ' HB2' ' A' ' 53' ' ' SER . 53.7 mt -42.54 -81.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.518 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.3 OUTLIER -122.65 129.45 51.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.462 ' HE1' ' CD2' ' A' ' 50' ' ' LEU . 32.5 ttm -132.13 115.68 16.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.5 t -149.01 171.54 16.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -88.5 105.47 17.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.344 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.9 m -105.79 166.1 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 t -114.43 110.08 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.524 ' HE2' ' CZ ' ' A' ' 49' ' ' PHE . 1.2 tmm? -134.1 121.2 21.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -127.75 -178.33 4.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -88.43 -49.79 6.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.618 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 179.51 -116.04 0.5 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.13 . . . . 0.0 110.96 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.98 93.5 3.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.755 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.42 176.51 8.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 108.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -38.38 -85.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 44' ' ' LYS . 14.0 mt-10 -138.22 176.03 9.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' GLU . 13.7 pttt -39.2 138.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 36' ' ' MET . 5.3 tp10 -101.92 96.12 6.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -79.11 134.28 36.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -148.94 170.52 18.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.486 ' CE2' ' CZ ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -114.21 119.84 38.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.568 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 2.3 m-30 -106.74 122.51 46.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.462 ' CD2' ' HE1' ' A' ' 31' ' ' MET . 0.3 OUTLIER -110.17 109.96 20.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.595 HD23 ' CZ3' ' A' ' 117' ' ' TRP . 5.7 tp -86.13 108.11 18.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.622 ' CE2' HG13 ' A' ' 57' ' ' ILE . 8.6 m-30 -92.37 4.55 53.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.5 ' HB2' ' CD1' ' A' ' 29' ' ' ILE . 8.0 t 72.61 44.9 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.995 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 167.89 -26.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.985 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.418 HG22 ' N ' ' A' ' 56' ' ' LEU . 9.2 p -143.81 145.87 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.471 ' CB ' ' HE1' ' A' ' 79' ' ' MET . 3.1 tm? -104.86 90.34 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.622 HG13 ' CE2' ' A' ' 52' ' ' PHE . 23.3 mm -76.7 126.48 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.568 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 15.1 mtm -108.74 131.7 54.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.46 ' CD2' HD12 ' A' ' 14' ' ' ILE . 6.6 mp -124.98 158.41 33.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 p -149.2 129.31 13.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -98.91 97.6 8.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.471 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -73.02 -54.58 4.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.969 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.2 Cg_endo -74.95 127.47 10.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.1 83.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.251 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 30.4 ttp -169.68 -73.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 54.6 p -167.95 -176.36 3.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.98 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.48 156.55 13.48 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.486 ' CZ ' ' CE2' ' A' ' 48' ' ' TYR . 34.0 m-85 -130.1 154.57 47.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -123.16 121.1 35.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.956 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -71.01 142.7 50.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -153.3 98.61 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.347 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.03 162.07 0.49 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.11 133.37 17.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 0.785 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.467 ' HB ' ' CE ' ' A' ' 79' ' ' MET . 0.9 OUTLIER -108.59 114.01 59.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.471 ' O ' ' N ' ' A' ' 79' ' ' MET . 18.4 Cg_endo -75.01 135.16 18.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.412 ' O ' ' HB3' ' A' ' 79' ' ' MET . 15.8 mm -50.62 -44.31 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.19 -52.52 64.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -82.26 4.41 77.01 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.461 1.1 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.471 ' HE1' ' CB ' ' A' ' 56' ' ' LEU . 17.5 ttm -85.16 160.3 19.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 32.3 t -142.71 107.04 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.0 t -117.88 130.57 72.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 -164.67 46.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.17 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 40.13 54.02 2.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.456 ' CD1' ' OE1' ' A' ' 95' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.7 mtp 50.66 -173.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -153.64 159.45 42.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.456 ' OE1' ' CD1' ' A' ' 84' ' ' LEU . 7.4 pt-20 -122.69 157.0 33.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 76.5 mt -123.48 98.11 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 47.8 p -111.87 -175.76 2.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 109.62 91.81 2.16 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.55 1.156 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 25.2 t -176.56 -59.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 110.023 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.68 -51.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.42 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.7 p -176.09 55.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.291 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -136.47 142.4 43.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.415 ' HB3' ' CZ ' ' A' ' 103' ' ' ARG . 19.8 ttp-105 -129.29 119.38 23.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.496 ' CG2' ' HG3' ' A' ' 36' ' ' MET . 3.2 mt -92.52 110.98 23.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.1 t -93.82 98.15 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.7 t -82.39 123.69 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -86.36 165.16 16.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.588 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.58 174.29 7.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 108.294 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -121.55 15.73 11.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 62.04 117.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 178.91 -179.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -31.58 39.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.256 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.11 -59.6 4.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -48.79 -64.5 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -41.2 -41.8 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.425 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -60.9 -59.0 6.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.291 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.595 ' CZ3' HD23 ' A' ' 51' ' ' LEU . 46.8 m95 -49.8 -44.49 49.1 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -38.24 90.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.09 -69.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.46 ' OE1' ' CG2' ' A' ' 29' ' ' ILE . 6.7 pt20 -45.38 -57.12 4.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.462 ' CD1' ' O ' ' A' ' 117' ' ' TRP . 10.7 mt -47.14 -48.43 23.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.64 -29.13 58.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 120' ' ' GLN . 21.6 ttt180 -86.4 -59.16 2.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.479 ' CD1' ' HA ' ' A' ' 53' ' ' SER . 13.6 mt -45.17 -71.46 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 49.2 p -52.94 -55.6 22.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.415 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.365 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -94.85 162.28 25.77 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -173.45 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.472 1.775 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.7 mt -83.31 154.7 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 70' ' ' TYR . 5.1 tt0 -105.05 126.82 52.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 74.59 20.36 2.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.568 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 39.4 t-105 -44.27 -76.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 73.27 103.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.29 -147.44 12.78 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.133 . . . . 0.0 111.062 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.4 -57.41 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -159.68 142.1 13.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.568 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 10.5 tt -82.45 -27.69 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.72 -2.95 52.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.9 t -92.21 -26.65 18.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.4 mt -68.27 -79.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -175.61 139.9 4.92 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.562 1.164 . . . . 0.0 111.043 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -44.94 156.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 109.312 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.526 HG22 ' CE1' ' A' ' 52' ' ' PHE . 92.3 t -83.72 100.93 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.484 ' CD1' ' HB3' ' A' ' 53' ' ' SER . 34.7 mt -55.97 -75.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.59 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.3 OUTLIER -122.93 121.51 36.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.974 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.46 ' CE ' HD21 ' A' ' 50' ' ' LEU . 32.5 ttm -124.15 121.31 34.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.24 163.08 33.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -80.69 109.83 15.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.4 m -105.23 175.47 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.475 HG23 ' CG ' ' A' ' 46' ' ' GLU . 1.8 t -124.6 107.91 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.51 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.3 tmm? -132.07 121.87 24.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.044 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.48 ' CB ' ' HB3' ' A' ' 45' ' ' GLU . 3.4 tm0? -131.96 173.78 10.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.0 -50.22 67.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.556 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -147.14 -81.26 0.04 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.469 1.105 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -141.74 -48.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.588 0.817 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 46.27 -166.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 108.291 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.497 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 1.8 mt-10 -49.18 -53.71 19.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.497 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 3.6 mm-40 -142.7 -169.65 3.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.406 ' CD ' HG22 ' A' ' 35' ' ' VAL . 3.8 ptpt -77.33 168.82 19.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 36' ' ' MET . 5.4 tp10 -120.33 102.16 8.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.475 ' CG ' HG23 ' A' ' 35' ' ' VAL . 19.4 mt-10 -79.84 145.61 32.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.442 ' NH2' ' OE1' ' A' ' 71' ' ' GLN . 0.2 OUTLIER -162.71 177.76 9.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -117.16 130.46 56.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.569 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 1.8 m-30 -119.42 118.76 31.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.46 HD21 ' CE ' ' A' ' 31' ' ' MET . 0.4 OUTLIER -109.13 111.85 23.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.477 ' CD2' HD13 ' A' ' 124' ' ' LEU . 4.9 tp -88.01 118.03 27.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.599 ' CE2' HG13 ' A' ' 57' ' ' ILE . 7.4 m-30 -101.72 4.32 40.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.484 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 1.5 p 73.17 44.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.3 OUTLIER 166.41 -26.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.97 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.1 p -143.87 143.72 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.509 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 2.2 tm? -104.88 94.36 5.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.577 1.173 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.599 HG13 ' CE2' ' A' ' 52' ' ' PHE . 9.9 mm -76.31 131.28 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.362 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.569 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 41.1 mtm -118.82 130.95 56.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.7 mp -119.9 157.71 28.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.9 t -119.02 148.96 42.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.49 131.12 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.04 172.12 7.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.993 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 64.01 6.01 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.428 1.752 . . . . 0.0 111.031 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.82 172.01 18.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.302 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.521 ' O ' ' CB ' ' A' ' 66' ' ' SER . 4.0 ttp -74.48 111.01 9.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 65' ' ' MET . 2.6 t 157.82 132.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.005 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.96 -122.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -107.67 148.27 29.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 15.6 ttt -121.77 121.38 37.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 111.003 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' GLN . 24.1 t80 -73.2 119.45 17.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.442 ' OE1' ' NH2' ' A' ' 47' ' ' ARG . 7.6 mm-40 -94.22 -62.16 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.42 ' O ' ' CE ' ' A' ' 58' ' ' MET . . . -155.13 167.71 32.88 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -132.13 132.4 43.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.468 ' CG2' ' HE3' ' A' ' 79' ' ' MET . 8.8 mt -106.12 116.22 59.85 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 125.32 9.22 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.553 1.817 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.459 ' HA ' ' CB ' ' A' ' 79' ' ' MET . 10.9 mm -51.32 -24.8 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.94 -64.63 0.87 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.453 ' O ' ' CA ' ' A' ' 98' ' ' GLY . . . -84.15 12.09 55.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.468 ' HE3' ' CG2' ' A' ' 74' ' ' ILE . 42.6 ttm -86.04 147.71 26.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 0.743 . . . . 0.0 110.959 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.5 t -137.88 107.84 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.4 t -117.88 151.77 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 22.6 p30 176.54 162.86 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.272 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' LEU . 1.1 ttt180 -73.62 57.8 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' ARG . 4.5 mm? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.52 ' HA ' ' CE2' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -138.94 162.35 35.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.42 ' HD2' ' CE2' ' A' ' 114' ' ' PHE . 32.7 p90 -130.58 176.61 8.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.476 ' OE1' ' CD ' ' A' ' 103' ' ' ARG . 8.3 pt-20 -128.84 150.09 50.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 37.0 mt -124.26 91.91 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 46.6 p -103.89 -175.68 2.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.408 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.453 ' CA ' ' O ' ' A' ' 78' ' ' GLY . . . 149.17 45.31 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.12 -167.99 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 110.06 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.456 ' O ' ' CG2' ' A' ' 101' ' ' VAL . 6.3 m -58.35 -56.33 23.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' A' ' 100' ' ' THR . 98.1 t -155.79 65.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -126.27 145.95 50.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.476 ' CD ' ' OE1' ' A' ' 95' ' ' GLU . 20.7 ttm105 -145.81 134.28 21.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.484 ' CG2' ' HG3' ' A' ' 36' ' ' MET . 5.4 mt -114.66 107.46 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 42.2 t -89.92 97.75 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.3 t -87.34 121.88 38.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -76.45 155.13 34.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.63 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.442 ' CB ' ' HB2' ' A' ' 114' ' ' PHE . 28.4 p -95.83 124.83 40.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 108.237 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -54.05 -53.03 58.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -140.87 -57.16 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.2 t30 177.39 -48.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -60.93 -61.28 2.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 112' ' ' GLN . 0.8 OUTLIER -40.26 -63.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.52 ' CE2' ' HA ' ' A' ' 93' ' ' MET . 0.9 OUTLIER -51.29 -54.38 26.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 111.006 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.5 ' N ' ' CD1' ' A' ' 114' ' ' PHE . 0.7 OUTLIER -37.24 -72.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -45.64 -58.97 3.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.59 ' CZ2' ' O ' ' A' ' 30' ' ' PHE . 26.0 m95 -43.21 -68.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 108.03 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.409 ' HG3' ' N ' ' A' ' 119' ' ' GLU . 0.7 OUTLIER -54.75 -19.37 6.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 116' ' ' GLU . 0.8 OUTLIER -75.62 -70.66 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.272 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 123' ' ' ARG . 8.0 pt20 -47.01 -54.4 10.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 5.5 mt -44.08 -52.02 7.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -48.56 -34.99 12.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 120' ' ' GLN . 28.4 ttt180 -83.06 -58.39 2.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.477 HD13 ' CD2' ' A' ' 51' ' ' LEU . 9.5 mt -46.52 -56.91 5.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 126' ' ' LYS . 26.4 p -68.29 -63.94 0.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.373 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.454 ' N ' ' OG1' ' A' ' 125' ' ' THR . 4.2 tttt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -146.4 160.05 43.21 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 151.17 39.29 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.451 1.763 . . . . 0.0 111.035 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.473 ' CG2' ' HB2' ' A' ' 70' ' ' TYR . 6.0 mt -79.0 126.93 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.522 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 4.0 tt0 -60.86 139.33 58.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . 85.57 -38.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.537 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 33.8 t-105 -40.19 114.32 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 107.993 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -64.36 -175.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 20' ' ' ASP . . . -51.87 -43.23 54.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.115 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 19' ' ' GLY . 7.0 m-20 -38.79 136.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.56 151.91 24.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.537 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 12.4 tt -93.91 -19.58 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -74.83 -2.94 28.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.2 p -85.39 -27.61 25.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.348 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.9 mt -75.31 -66.0 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.153 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 163.71 -141.75 7.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.105 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.48 173.36 6.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 0.752 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.556 HG21 ' CE1' ' A' ' 52' ' ' PHE . 69.6 t -95.7 104.2 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 53' ' ' SER . 67.0 mt -57.83 -77.51 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.584 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -129.56 123.66 31.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.437 ' CE ' HD23 ' A' ' 50' ' ' LEU . 16.9 ptm -126.84 133.45 50.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.4 t -160.81 166.85 27.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 109.945 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -86.05 104.83 16.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.253 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.7 m -105.25 179.34 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.0 t -130.05 117.5 40.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.441 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 1.7 tmm? -139.64 122.28 16.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.448 ' OE1' ' N ' ' A' ' 38' ' ' HIS . 23.9 tm0? -122.81 -73.65 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.448 ' N ' ' OE1' ' A' ' 37' ' ' GLN . 51.5 t60 65.19 151.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.617 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 64.66 107.02 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.519 1.137 . . . . 0.0 111.043 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 41' ' ' CYS . . . 45.25 85.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 0.761 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 42' ' ' GLU . 30.2 p -54.86 -171.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 108.333 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER 163.8 -44.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.446 ' CG ' ' C ' ' A' ' 42' ' ' GLU . 7.1 mt-10 -154.76 176.86 11.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 110.232 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.11 102.21 14.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.235 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 36' ' ' MET . 0.6 OUTLIER -75.48 94.19 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -74.69 147.54 41.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.43 174.23 13.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -120.04 110.67 16.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 111.062 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.573 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 3.2 m-30 -99.17 125.2 44.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.437 HD23 ' CE ' ' A' ' 31' ' ' MET . 1.3 mt -115.36 110.57 19.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.518 HD21 ' CZ3' ' A' ' 117' ' ' TRP . 6.1 tp -85.86 115.69 23.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.611 ' CE2' HG13 ' A' ' 57' ' ' ILE . 7.3 m-30 -99.63 4.2 45.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.478 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 1.1 p 74.08 40.76 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.959 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.08 -30.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.954 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.476 ' CG2' ' HD3' ' A' ' 73' ' ' LYS . 8.8 p -142.43 155.82 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.503 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 2.0 tm? -111.25 93.69 4.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.611 HG13 ' CE2' ' A' ' 52' ' ' PHE . 11.8 mm -77.12 130.29 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.573 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 31.9 mtm -115.16 130.13 56.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.464 ' CD2' HD13 ' A' ' 14' ' ' ILE . 3.9 mp -120.43 159.92 24.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 57.4 m -137.99 148.87 45.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.996 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -125.11 66.2 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.48 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.3 OUTLIER -79.16 -55.23 0.94 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.992 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.48 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.4 Cg_endo -75.03 131.26 14.05 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.499 1.789 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.51 ' O ' ' C ' ' A' ' 65' ' ' MET . 17.3 ttt180 -55.9 144.91 26.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.51 ' C ' ' O ' ' A' ' 64' ' ' ARG . 2.8 ptm 28.47 62.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.0 t -138.76 52.47 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.98 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 39.53 -144.88 0.32 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.125 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -115.99 154.84 29.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 16.1 ttt -118.4 116.63 27.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.475 ' CD1' ' CZ3' ' A' ' 17' ' ' TRP . 60.5 t80 -71.83 111.18 6.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -83.07 -74.17 0.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -143.99 177.85 22.41 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.523 1.14 . . . . 0.0 111.0 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.476 ' HD3' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -137.77 138.87 39.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.483 ' HB ' ' CE ' ' A' ' 79' ' ' MET . 8.4 mt -119.59 122.89 28.94 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 127.72 10.91 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.47 1.774 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.464 ' HA ' ' CB ' ' A' ' 79' ' ' MET . 23.4 mm -55.12 -26.38 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.42 -72.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.02 -17.23 69.52 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.11 . . . . 0.0 111.06 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.483 ' CE ' ' HB ' ' A' ' 74' ' ' ILE . 28.5 ttm -55.86 154.79 6.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 0.753 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.6 t -142.58 107.09 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.405 ' O ' ' OD1' ' A' ' 82' ' ' ASN . 5.3 t -111.57 126.71 68.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 81' ' ' VAL . 68.8 m-20 -149.34 174.71 12.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.8 mtt85 -89.47 29.1 1.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.448 HD11 ' CG ' ' A' ' 95' ' ' GLU . 1.4 mp . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.8 mtp -105.14 -170.85 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -150.43 164.48 35.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.448 ' CG ' HD11 ' A' ' 84' ' ' LEU . 9.1 pt-20 -126.34 156.46 40.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 71.7 mt -121.35 98.55 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.486 ' CG2' ' HA ' ' A' ' 103' ' ' ARG . 43.3 p -109.32 -175.89 2.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 110.411 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.37 -48.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.07 -176.3 3.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 0.771 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.5 t -86.05 48.22 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.452 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.2 p -174.08 -42.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -49.34 153.33 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.241 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.486 ' HA ' ' CG2' ' A' ' 97' ' ' THR . 39.2 ttt180 -178.52 104.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.43 ' O ' ' HA ' ' A' ' 95' ' ' GLU . 0.9 OUTLIER -103.86 104.26 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.4 t -86.97 98.75 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.0 t -85.27 126.55 40.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -82.18 130.25 35.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.557 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 31.9 p -44.09 151.06 0.25 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 108.291 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.92 -59.49 1.97 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -157.66 -59.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.8 t30 178.24 -62.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -61.47 2.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -46.56 -63.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.485 ' CE1' ' HG3' ' A' ' 118' ' ' MET . 25.0 t80 -43.37 -57.37 3.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -42.73 -60.08 1.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.318 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -45.33 -59.24 2.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.584 ' CZ2' ' O ' ' A' ' 30' ' ' PHE . 62.4 m95 -46.5 -46.78 19.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 108.02 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.485 ' HG3' ' CE1' ' A' ' 114' ' ' PHE . 99.1 mmm -68.59 -27.86 66.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.987 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 116' ' ' GLU . 1.0 OUTLIER -75.0 -51.2 14.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.505 ' O ' ' CG ' ' A' ' 123' ' ' ARG . 1.4 pt20 -65.65 -59.42 3.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.446 ' H ' ' CG ' ' A' ' 120' ' ' GLN . 7.6 mt -49.03 -23.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.4 OUTLIER -64.73 -28.36 69.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 120' ' ' GLN . 3.1 ptt180 -104.74 -31.54 9.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.48 HD12 ' CD2' ' A' ' 51' ' ' LEU . 9.0 mt -65.9 -64.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 43.2 p -78.35 -44.19 25.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.434 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' SER . 10.2 mt-10 -38.5 157.35 0.11 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 144.59 30.36 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.789 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.492 ' CG2' ' HB2' ' A' ' 70' ' ' TYR . 5.6 mt -65.8 117.94 7.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.458 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -57.84 154.56 11.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . 81.83 -44.7 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.592 ' CH2' ' CD1' ' A' ' 22' ' ' ILE . 22.4 t-105 -37.08 136.17 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 108.022 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -163.65 147.59 10.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.51 137.91 0.14 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.432 1.083 . . . . 0.0 111.03 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 53.35 173.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.77 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -105.37 170.09 8.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.592 ' CD1' ' CH2' ' A' ' 17' ' ' TRP . 11.1 tt -96.02 -28.35 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -68.05 -15.59 63.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.4 p -75.55 -28.88 59.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.361 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.2 mt -71.17 -78.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.62 165.39 21.8 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -54.37 -179.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.77 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.578 HG21 ' CE1' ' A' ' 52' ' ' PHE . 97.2 t -104.33 105.42 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.505 ' CG2' ' OE1' ' A' ' 120' ' ' GLN . 16.6 mt -52.69 -77.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.543 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 3.4 t80 -136.42 129.73 31.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 111.035 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.8 ptm -128.59 137.36 51.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.6 p -161.84 152.63 17.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -68.49 107.31 2.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.4 m -107.04 175.51 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.434 HG23 ' CG ' ' A' ' 46' ' ' GLU . 2.1 t -126.2 108.61 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.509 ' HE1' ' CZ ' ' A' ' 49' ' ' PHE . 1.7 tmm? -131.55 124.03 29.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -123.37 -173.72 2.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -173.47 -49.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.593 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.96 -27.35 10.35 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 62.54 152.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 0.772 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.3 t -150.62 -74.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 108.332 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.54 -58.69 1.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 44' ' ' LYS . 8.4 mt-10 -149.62 -166.2 2.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 43' ' ' GLU . 13.5 mttt -39.15 157.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 36' ' ' MET . 37.1 mm-40 -113.43 91.68 3.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.434 ' CG ' HG23 ' A' ' 35' ' ' VAL . 15.5 mt-10 -74.43 144.32 44.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.241 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -162.35 169.45 20.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -111.95 124.46 52.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.562 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 1.8 m-30 -113.18 111.32 21.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.054 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 mt -100.34 107.72 19.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.368 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.556 ' HB2' ' CZ3' ' A' ' 117' ' ' TRP . 7.5 tp -85.02 113.61 21.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.587 ' CE2' HG13 ' A' ' 57' ' ' ILE . 7.2 m-30 -95.7 -3.84 45.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER 83.92 -13.18 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.979 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.02 -8.3 8.3 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.6 p -175.05 153.05 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.509 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 1.3 tm? -102.42 96.99 7.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.587 HG13 ' CE2' ' A' ' 52' ' ' PHE . 15.0 mm -77.12 139.16 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.562 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 17.3 mtm -120.19 137.14 54.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.484 ' HB3' ' CD1' ' A' ' 68' ' ' PHE . 10.0 mp -126.76 158.53 36.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.3 t -140.61 152.14 45.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -141.65 78.59 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.479 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -64.78 -52.81 48.16 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 110.004 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 62' ' ' SER . 18.2 Cg_endo -75.01 -174.04 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.785 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -62.52 162.23 10.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.413 ' O ' ' HG3' ' A' ' 65' ' ' MET . 5.1 ptm -47.89 113.53 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.2 t 179.93 85.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.72 -171.22 41.76 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.484 ' CD1' ' HB3' ' A' ' 59' ' ' LEU . 8.9 m-85 -136.44 174.96 10.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 6.4 ttt -135.27 108.75 7.88 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.492 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 66.4 t80 -56.06 133.28 51.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -135.74 92.96 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 59.03 169.26 0.25 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -151.34 136.36 17.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.735 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.4 ' HB ' ' CE ' ' A' ' 79' ' ' MET . 10.0 mt -100.23 124.8 41.85 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 136.52 20.46 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.5 mm -61.31 -26.0 38.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.51 -77.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -82.79 42.59 2.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.4 ' CE ' ' HB ' ' A' ' 74' ' ' ILE . 10.3 ttm -98.66 111.15 23.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.744 . . . . 0.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.2 t -102.03 107.34 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.0 t -116.29 132.8 64.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -151.36 160.49 43.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -90.91 25.47 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.51 ' O ' ' CG ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.51 ' CG ' ' O ' ' A' ' 92' ' ' CYS . 19.6 ptm 44.08 -170.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -166.08 160.2 16.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -119.02 163.57 16.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 110.225 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 48.4 mt -130.27 96.37 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.461 ' CG2' ' HA ' ' A' ' 103' ' ' ARG . 60.8 p -116.36 -175.92 2.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -161.92 -42.97 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.57 -168.09 1.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 0.736 . . . . 0.0 110.001 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.9 t -93.31 35.12 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 47.9 t -153.11 -45.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -63.83 139.77 58.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.461 ' HA ' ' CG2' ' A' ' 97' ' ' THR . 49.0 ttp180 -167.5 111.84 0.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.47 ' CG2' ' HG3' ' A' ' 36' ' ' MET . 4.2 mt -111.79 121.54 64.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.1 t -99.77 97.63 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.1 t -87.57 114.72 26.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -77.07 142.58 39.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.603 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.538 ' CB ' ' CD1' ' A' ' 114' ' ' PHE . 21.5 p -119.18 173.98 6.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 108.319 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -128.62 11.45 6.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 57.8 t30 55.05 100.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -172.46 178.82 2.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.43 -25.76 62.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.256 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.51 -55.5 8.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.538 ' CD1' ' CB ' ' A' ' 108' ' ' CYS . 67.3 t80 -47.53 -58.76 3.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -40.67 -61.07 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.342 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -39.08 -66.37 0.29 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 110.274 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.556 ' CZ3' ' HB2' ' A' ' 51' ' ' LEU . 47.0 m95 -40.03 -56.09 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 108.023 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.04 -44.13 82.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.415 ' CG ' ' N ' ' A' ' 120' ' ' GLN . 1.5 tt0 -54.57 -67.71 0.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.505 ' OE1' ' CG2' ' A' ' 29' ' ' ILE . 8.8 pt20 -53.98 -57.6 10.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.41 HD12 ' C ' ' A' ' 117' ' ' TRP . 7.1 mt -42.72 -36.33 1.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -65.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.5 ' CG ' ' N ' ' A' ' 124' ' ' LEU . 1.1 ptm180 -61.37 -41.47 97.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.251 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.5 ' N ' ' CG ' ' A' ' 123' ' ' ARG . 6.6 mt -52.1 -83.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 72.4 p -45.58 -34.79 3.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 0.0 110.393 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -76.81 152.95 83.05 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 170.5 20.28 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 15' ' ' GLN . 4.3 mt -88.89 150.23 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.404 ' N ' HG23 ' A' ' 14' ' ' ILE . 5.8 tt0 -90.8 133.07 35.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . 77.14 16.61 1.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.586 ' CH2' ' CD1' ' A' ' 22' ' ' ILE . 73.5 t-105 -77.93 112.16 14.53 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -59.92 -177.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.85 -169.96 0.26 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.566 1.166 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 61.11 118.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.471 ' CB ' HG21 ' A' ' 24' ' ' THR . 0.4 OUTLIER -55.95 155.23 6.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.586 ' CD1' ' CH2' ' A' ' 17' ' ' TRP . 13.1 tt -82.37 -32.14 10.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -23.19 62.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.471 HG21 ' CB ' ' A' ' 21' ' ' ASP . 20.8 p -67.41 -28.46 67.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.433 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.93 -65.81 0.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.17 -149.95 17.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -101.68 -174.11 2.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 0.775 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.561 HG21 ' CE1' ' A' ' 52' ' ' PHE . 79.2 t -111.4 95.85 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.478 ' CD1' ' HB2' ' A' ' 53' ' ' SER . 55.5 mt -49.25 -78.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.571 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -123.67 121.07 34.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.965 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.483 ' HB2' ' CG1' ' A' ' 28' ' ' VAL . 32.1 ttm -123.67 123.96 41.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.2 t -158.88 164.39 35.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -81.49 109.0 15.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.8 m -105.05 172.8 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.462 HG22 ' CG ' ' A' ' 46' ' ' GLU . 2.2 t -122.8 116.63 49.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.637 ' O ' ' CB ' ' A' ' 37' ' ' GLN . 1.6 tmm? -140.63 123.66 16.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.637 ' CB ' ' O ' ' A' ' 36' ' ' MET . 4.0 tp-100 97.74 159.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -171.95 158.51 4.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.592 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.62 -174.93 47.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.78 72.61 8.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.7 t -127.98 -53.92 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 108.298 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.415 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 2.4 mt-10 -166.27 -79.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.415 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 5.2 mm-40 -141.16 -169.85 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -42.93 163.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.514 ' CB ' ' HB3' ' A' ' 37' ' ' GLN . 68.6 mm-40 -104.65 86.8 2.55 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.462 ' CG ' HG22 ' A' ' 35' ' ' VAL . 11.4 mt-10 -71.55 148.65 46.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.54 174.44 13.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -117.18 128.03 54.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.505 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 2.8 m-30 -117.55 119.86 36.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.471 HD22 ' CE ' ' A' ' 31' ' ' MET . 0.3 OUTLIER -107.9 111.81 24.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.538 HD21 ' CE3' ' A' ' 117' ' ' TRP . 6.2 tp -86.94 110.21 19.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.608 ' CE2' HG13 ' A' ' 57' ' ' ILE . 6.8 m-30 -98.6 7.03 46.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.478 ' HB2' ' CD1' ' A' ' 29' ' ' ILE . 4.5 t 65.44 48.55 2.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.152 . . . . 0.0 110.034 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.415 ' N ' HG13 ' A' ' 76' ' ' ILE . 0.3 OUTLIER 167.02 -26.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.034 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.434 HG23 ' N ' ' A' ' 56' ' ' LEU . 4.7 p -149.86 142.49 17.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.47 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 2.2 tm? -101.59 94.06 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.608 HG13 ' CE2' ' A' ' 52' ' ' PHE . 11.6 mm -76.73 127.44 37.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.505 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 35.8 mtm -112.61 135.74 52.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.6 mp -121.32 162.13 20.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 69' ' ' MET . 0.7 OUTLIER -140.41 123.37 16.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.984 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.65 158.99 18.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.481 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.1 OUTLIER 173.99 -54.91 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.2 Cg_endo -75.07 -171.49 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.542 1.812 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -128.31 152.17 48.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.301 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.4 tpt 59.7 85.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.3 p 168.32 -31.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.86 -115.92 5.44 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.454 1.097 . . . . 0.0 110.975 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -122.36 158.56 29.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 60' ' ' SER . 5.9 ttt -120.07 130.14 54.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -85.45 148.27 26.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -121.69 -72.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 110.288 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -137.7 168.82 24.36 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.145 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -138.29 130.08 28.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 0.0 109.361 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.492 ' HB ' ' CE ' ' A' ' 79' ' ' MET . 14.1 mt -108.51 122.07 41.43 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 129.24 12.15 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.485 1.781 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.48 ' HA ' ' CB ' ' A' ' 79' ' ' MET . 29.0 mm -54.45 -25.41 14.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.13 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.67 -66.49 0.46 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.435 ' O ' ' CA ' ' A' ' 98' ' ' GLY . . . -84.23 15.41 39.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.492 ' CE ' ' HB ' ' A' ' 74' ' ' ILE . 22.3 ttm -83.3 143.78 30.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 111.05 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.3 t -125.65 107.98 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.408 ' O ' ' CG ' ' A' ' 82' ' ' ASN . 9.6 t -106.65 139.08 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 81' ' ' VAL . 21.3 m-20 179.78 132.42 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 84' ' ' LEU . 1.7 ptp85 -69.97 57.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 83' ' ' ARG . 4.0 mm? . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.44 ' O ' ' CE1' ' A' ' 114' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.0 ptm -141.22 162.89 34.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -132.24 169.34 16.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.477 ' OE1' ' CD ' ' A' ' 103' ' ' ARG . 6.3 pt-20 -122.62 141.05 52.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 74.3 mt -110.9 100.87 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.408 ' CG2' ' HG3' ' A' ' 103' ' ' ARG . 52.5 p -123.77 -175.87 3.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.384 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.435 ' CA ' ' O ' ' A' ' 78' ' ' GLY . . . 178.56 -79.87 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.2 -19.27 13.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.028 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 49.3 m -90.37 172.37 8.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.368 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 11.2 m -116.35 -31.66 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -38.48 -38.8 0.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.477 ' CD ' ' OE1' ' A' ' 95' ' ' GLU . 27.9 ttp180 63.72 127.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.486 ' CD1' HD12 ' A' ' 74' ' ' ILE . 2.3 mt -95.63 109.21 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.42 ' CG2' ' NE ' ' A' ' 103' ' ' ARG . 50.1 t -96.47 98.35 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.5 t -86.46 117.9 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -70.33 148.83 48.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.626 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.545 ' SG ' ' CG ' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -47.78 108.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 108.346 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -41.3 -49.94 3.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -170.78 -66.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -170.69 -70.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.06 -55.93 7.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 1.3 m-20 -48.39 -52.42 21.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.545 ' CG ' ' SG ' ' A' ' 108' ' ' CYS . 12.4 t80 -48.8 -59.01 3.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.12 -46.25 11.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -52.27 -58.7 5.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.295 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.571 ' CZ2' ' O ' ' A' ' 30' ' ' PHE . 54.6 m95 -45.64 -43.51 12.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 107.952 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.41 ' O ' ' HB2' ' A' ' 122' ' ' ASN . 0.0 OUTLIER -65.75 -35.57 81.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 111.028 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 122' ' ' ASN . 0.0 OUTLIER -65.87 -64.0 0.96 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.464 ' O ' ' CG ' ' A' ' 123' ' ' ARG . 0.3 OUTLIER -50.01 -58.42 5.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 110.262 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 117' ' ' TRP . 6.5 mt -50.57 -22.67 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 119' ' ' GLU . 1.2 t-20 -72.45 -27.78 62.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.474 ' CZ ' HD22 ' A' ' 124' ' ' LEU . 4.2 ptm180 -105.31 -33.82 8.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.34 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.487 HD13 ' CD2' ' A' ' 51' ' ' LEU . 19.7 mt -59.12 -77.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.469 ' HA ' ' CG2' ' A' ' 76' ' ' ILE . 70.8 p -48.15 -30.02 4.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.369 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -166.37 -58.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 110.04 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 p -145.45 163.84 33.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.52 168.99 24.35 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.11 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.8 m -166.51 147.93 6.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 110.038 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 p -46.36 153.58 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.977 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.99 -162.82 5.97 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.426 ' C ' ' N ' ' A' ' 10' ' ' LEU . 13.1 mp0 69.88 -61.77 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 110.274 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 tt -43.75 -27.54 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.426 ' N ' ' C ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER -124.98 54.16 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.75 -48.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -118.62 162.76 29.07 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.02 43.01 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 111.043 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.476 ' CG2' ' HB2' ' A' ' 70' ' ' TYR . 9.6 mt -74.55 125.04 33.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.539 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 3.6 tt0 -57.84 139.56 53.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . 86.73 -37.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.594 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 31.3 t-105 -40.52 131.97 2.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 107.997 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -168.54 112.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.26 -78.67 0.08 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -142.41 -72.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -170.27 160.29 7.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.594 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 4.8 tt -94.47 -32.07 4.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.07 -10.83 60.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 25' ' ' LEU . 6.1 t -84.03 -27.39 28.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 110.427 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.411 ' N ' HG23 ' A' ' 24' ' ' THR . 67.9 mt -68.33 -46.84 69.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 158.46 -118.04 0.81 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.469 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 1.2 m-20 -134.6 -166.04 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 109.359 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.54 HG21 ' CE1' ' A' ' 52' ' ' PHE . 74.6 t -118.44 93.9 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 53' ' ' SER . 61.0 mt -48.46 -78.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 113' ' ' ASP . 0.3 OUTLIER -124.14 123.32 40.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.451 ' CE ' HD22 ' A' ' 50' ' ' LEU . 35.8 ttm -124.0 127.46 47.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.6 t -160.83 166.93 27.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.993 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -85.85 108.39 18.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 110.336 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.483 ' HB ' ' CG1' ' A' ' 106' ' ' VAL . 11.3 m -105.49 177.92 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.413 HG12 ' CD2' ' A' ' 107' ' ' HIS . 1.4 t -131.7 107.22 12.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.455 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 3.4 tmm? -128.15 121.17 28.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.43 ' CB ' ' HB2' ' A' ' 45' ' ' GLU . 9.8 tm0? -129.11 -72.74 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -177.25 -170.94 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.627 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.25 71.24 2.73 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.143 . . . . 0.0 111.052 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 60.2 111.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 0.78 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.9 t -147.1 -74.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 108.305 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.423 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 5.7 mt-10 -123.85 -71.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.423 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 10.3 mm-40 -141.42 -168.52 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.262 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -84.16 -179.47 7.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' A' ' 36' ' ' MET . 1.1 mm-40 -151.17 99.97 2.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.69 139.82 45.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.45 165.68 25.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -107.17 133.63 51.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.489 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 2.0 m-30 -119.04 125.81 50.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.451 HD22 ' CE ' ' A' ' 31' ' ' MET . 0.4 OUTLIER -115.5 110.01 18.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.548 HD22 ' CZ3' ' A' ' 117' ' ' TRP . 6.8 tp -88.45 111.65 22.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.583 ' CE2' HG13 ' A' ' 57' ' ' ILE . 7.7 m-30 -94.68 -4.69 47.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.16 . . . . 0.0 111.042 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER 84.23 -13.66 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.991 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.36 -4.28 7.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.2 p -176.27 154.26 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.372 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.457 HD12 ' CG ' ' A' ' 58' ' ' MET . 1.3 tm? -106.45 98.96 8.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.583 HG13 ' CE2' ' A' ' 52' ' ' PHE . 11.5 mm -81.59 134.81 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.489 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 38.1 mtm -119.04 133.79 55.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.51 ' HB3' ' CD1' ' A' ' 68' ' ' PHE . 4.2 mp -121.38 160.22 24.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.1 t -138.75 152.69 48.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -126.92 62.37 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.483 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -43.02 -52.9 11.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 62' ' ' SER . 18.3 Cg_endo -75.02 -162.64 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.526 1.803 . . . . 0.0 111.004 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.52 -85.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.332 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -134.91 109.8 8.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.3 t 179.71 90.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.94 -166.65 2.68 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.51 ' CD1' ' HB3' ' A' ' 59' ' ' LEU . 7.5 m-85 -128.96 171.15 12.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 0.737 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 20.6 ttt -128.11 118.54 23.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.476 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 23.4 t80 -74.01 123.16 23.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -94.68 -70.59 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -146.75 172.16 27.34 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.459 1.099 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.08 139.03 48.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.766 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.464 HD11 ' CD1' ' A' ' 104' ' ' ILE . 2.5 mt -117.58 115.78 37.23 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.452 ' C ' ' N ' ' A' ' 77' ' ' ALA . 18.2 Cg_endo -75.04 127.11 10.39 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 40.8 mm -41.07 -28.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.244 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.452 ' N ' ' C ' ' A' ' 75' ' ' PRO . . . -70.04 132.07 45.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.97 -15.8 25.02 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.446 ' CE ' ' HB ' ' A' ' 74' ' ' ILE . 3.5 tpp -53.04 153.11 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 36.8 t -138.73 111.53 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.7 t -131.43 119.05 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 83' ' ' ARG . 72.0 m-20 -149.4 41.81 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.463 ' HA ' ' CB ' ' A' ' 94' ' ' PHE . 28.0 ptt180 38.11 37.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.412 ' CD2' ' CD ' ' A' ' 95' ' ' GLU . 2.8 mt 44.68 68.7 0.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -96.54 12.64 30.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.418 ' C ' ' CD1' ' A' ' 87' ' ' ILE . 14.4 mt-10 -77.71 -4.41 46.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.538 ' N ' ' CD1' ' A' ' 87' ' ' ILE . 0.9 OUTLIER -108.49 -148.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 87' ' ' ILE . 59.3 mt-10 -158.93 116.03 2.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 38.6 77.82 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 t -166.38 81.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 65.56 142.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.492 ' O ' ' CG ' ' A' ' 93' ' ' MET . 0.9 OUTLIER -82.58 -85.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 108.286 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.492 ' CG ' ' O ' ' A' ' 92' ' ' CYS . 15.5 ptt? 42.57 -167.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.463 ' CB ' ' HA ' ' A' ' 83' ' ' ARG . 17.9 p90 -167.65 157.56 10.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.412 ' CD ' ' CD2' ' A' ' 84' ' ' LEU . 9.6 pt-20 -112.71 166.23 11.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.375 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 52.4 mt -135.85 93.01 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.445 ' CG2' ' HG3' ' A' ' 103' ' ' ARG . 21.9 p -113.94 -175.48 2.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 134.08 60.79 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.55 -170.16 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.963 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 97.5 m -42.56 -63.86 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.361 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.1 p -163.79 63.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 103' ' ' ARG . 1.1 tp10 -124.6 137.58 54.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.445 ' HG3' ' CG2' ' A' ' 97' ' ' THR . 43.6 ttp180 -137.81 119.53 15.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.464 ' CD1' HD11 ' A' ' 74' ' ' ILE . 1.9 mt -96.9 110.44 24.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.0 t -97.67 98.49 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.483 ' CG1' ' HB ' ' A' ' 34' ' ' VAL . 4.6 t -85.03 135.68 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.413 ' CD2' HG12 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -70.46 157.82 37.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.592 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.16 -168.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 108.282 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -160.06 -44.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 72.14 79.48 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 179.68 166.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -20.59 11.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 4.3 m-20 -65.67 -53.16 44.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -50.52 -61.48 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -35.8 12.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -57.75 9.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.548 ' CZ3' HD22 ' A' ' 51' ' ' LEU . 51.5 m95 -47.56 -46.28 27.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 107.95 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.412 ' SD ' ' CG ' ' A' ' 94' ' ' PHE . 94.5 mmm -67.48 -34.61 77.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 122' ' ' ASN . 0.4 OUTLIER -64.91 -53.94 38.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.462 ' OE1' ' CD2' ' A' ' 51' ' ' LEU . 1.9 pt20 -65.55 -57.58 7.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.35 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.417 ' H ' ' CG ' ' A' ' 120' ' ' GLN . 9.9 mt -46.93 -27.06 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.3 OUTLIER -68.22 -54.16 19.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 124' ' ' LEU . 3.9 ptp180 -74.75 -35.16 62.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.478 ' CD1' ' HA ' ' A' ' 53' ' ' SER . 6.2 mt -55.93 -76.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 60.2 p -46.4 -31.07 2.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -95.55 -165.43 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.26 88.26 2.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.09 . . . . 0.0 109.988 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 106.97 165.69 22.29 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 150.51 38.17 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.498 1.789 . . . . 0.0 110.973 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.44 108.63 8.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 34.2 t 51.62 82.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -124.88 162.14 25.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 109.962 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 t -89.51 85.14 6.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.04 -59.87 2.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 m -105.28 117.6 34.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 109.978 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 p -77.05 116.0 17.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.04 103.28 2.98 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -115.11 163.72 15.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 0.777 . . . . 0.0 110.355 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.453 HD12 ' CE ' ' A' ' 31' ' ' MET . 11.4 mm -72.39 151.18 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 12' ' ' GLU . 4.6 pp -42.49 159.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' GLU . 13.8 m -43.25 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.013 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.466 ' HB2' ' CD1' ' A' ' 10' ' ' LEU . 5.3 mt-10 -38.98 152.76 0.18 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -164.38 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.475 1.776 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.459 HD11 ' CD2' ' A' ' 59' ' ' LEU . 5.2 mt -96.62 152.54 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.456 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 6.2 tt0 -97.76 127.51 43.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . 81.5 22.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.523 ' CH2' HD13 ' A' ' 22' ' ' ILE . 69.7 t-105 -80.25 129.69 34.68 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -126.38 -179.67 4.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.97 -95.7 1.09 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -164.44 -53.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.444 ' HB2' ' CG2' ' A' ' 24' ' ' THR . 0.4 OUTLIER -160.45 151.26 18.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.523 HD13 ' CH2' ' A' ' 17' ' ' TRP . 4.9 tt -82.33 -20.67 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -74.3 -7.85 54.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.444 ' CG2' ' HB2' ' A' ' 21' ' ' ASP . 29.8 p -80.02 -31.48 39.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.443 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 79.4 mt -73.6 -63.67 1.15 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.15 -152.79 22.53 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -105.22 154.54 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.566 HG21 ' CE1' ' A' ' 52' ' ' PHE . 89.5 t -78.5 96.66 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.482 ' CD1' ' HB3' ' A' ' 53' ' ' SER . 8.0 mt -44.77 -78.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.463 ' N ' ' CG2' ' A' ' 29' ' ' ILE . 84.4 t80 -141.32 119.53 12.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.453 ' CE ' HD12 ' A' ' 9' ' ' ILE . 2.5 ptm -112.57 146.14 39.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.3 t -161.63 153.42 19.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -73.85 105.41 5.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.1 m -105.41 178.89 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.439 HG21 ' CG ' ' A' ' 46' ' ' GLU . 2.1 t -131.33 111.64 19.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.493 ' HE1' ' CZ ' ' A' ' 49' ' ' PHE . 1.6 tmm? -133.06 119.56 20.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -121.65 -97.69 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -158.55 -51.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.596 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -172.96 -73.8 0.05 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -164.83 101.32 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.6 m -119.51 -71.36 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 108.295 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.448 ' C ' ' CG ' ' A' ' 43' ' ' GLU . 19.5 mt-10 -128.4 -53.44 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.227 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.448 ' CG ' ' C ' ' A' ' 42' ' ' GLU . 4.9 mt-10 -154.18 -176.17 5.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.325 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.401 ' HB2' ' CG1' ' A' ' 35' ' ' VAL . 39.3 pttt -75.63 153.98 36.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 36' ' ' MET . 24.1 tt0 -114.59 104.79 12.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.439 ' CG ' HG21 ' A' ' 35' ' ' VAL . 12.5 mt-10 -80.84 147.98 30.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.64 174.82 12.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -120.56 116.66 25.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.565 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 2.5 m-30 -104.44 121.28 43.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.956 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 mt -108.25 115.06 29.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.567 ' HB2' ' CZ3' ' A' ' 117' ' ' TRP . 10.4 tp -91.8 112.42 24.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.626 ' CE2' HG13 ' A' ' 57' ' ' ILE . 8.9 m-30 -95.25 0.58 54.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.482 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 0.9 OUTLIER 79.36 35.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.001 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.39 -32.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.046 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.416 HG23 ' N ' ' A' ' 56' ' ' LEU . 7.8 p -138.24 149.4 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.517 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 2.4 tm? -107.53 93.45 4.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.626 HG13 ' CE2' ' A' ' 52' ' ' PHE . 5.0 mm -77.03 135.13 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.565 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 12.6 mtm -119.75 127.85 53.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.459 ' CD2' HD11 ' A' ' 14' ' ' ILE . 1.6 mp -119.24 161.18 20.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.4 m -127.72 135.48 50.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -137.34 29.11 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.471 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.2 OUTLIER -39.38 -54.93 3.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.958 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.5 Cg_endo -74.94 144.65 30.74 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.793 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.471 ' C ' ' CG ' ' A' ' 65' ' ' MET . 0.5 OUTLIER -102.11 85.02 2.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.471 ' CG ' ' C ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER 165.32 -29.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 111.007 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.8 m -96.53 165.19 12.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.959 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.45 -147.13 0.7 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.131 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 12.4 m-30 -108.09 144.87 34.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 0.765 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.1 ttt -116.25 131.88 56.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -86.73 126.1 34.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -101.01 -64.31 1.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -149.88 175.21 29.1 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -138.39 138.6 38.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 0.753 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.475 ' CG2' ' HE3' ' A' ' 79' ' ' MET . 4.1 mt -113.04 121.76 37.45 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 125.65 9.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.471 ' HA ' ' CB ' ' A' ' 79' ' ' MET . 10.4 mm -51.63 -26.35 6.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.09 -72.65 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -71.44 -3.66 54.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.435 1.084 . . . . 0.0 110.964 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.475 ' HE3' ' CG2' ' A' ' 74' ' ' ILE . 32.5 ttm -67.72 146.62 53.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.4 t -135.78 108.77 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.408 ' O ' ' CG ' ' A' ' 82' ' ' ASN . 3.8 t -110.77 140.2 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 81' ' ' VAL . 55.7 m-20 -174.04 165.99 4.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.29 11.52 11.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.487 ' CD1' ' HG2' ' A' ' 95' ' ' GLU . 6.4 mp 54.67 54.72 8.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -85.81 -1.73 57.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -70.08 -7.04 38.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.545 ' N ' ' CD1' ' A' ' 87' ' ' ILE . 1.0 OUTLIER -103.24 -145.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -134.84 61.89 1.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.65 96.79 0.14 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.4 t -106.07 -58.88 1.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 0.748 . . . . 0.0 110.016 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.98 168.9 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 27.8 p -85.4 70.31 10.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 108.29 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.1 ptt? -148.87 -170.07 3.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -148.25 157.86 43.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.496 ' OE2' ' CG2' ' A' ' 97' ' ' THR . 6.4 pt-20 -120.88 139.9 52.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 53.0 mt -107.91 117.55 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.496 ' CG2' ' OE2' ' A' ' 95' ' ' GLU . 46.6 p -126.11 -175.61 3.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.422 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 133.7 69.25 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.46 -173.46 0.43 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.573 0.808 . . . . 0.0 110.004 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.4 t -40.31 -55.59 2.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.412 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 4.5 p -177.55 68.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -130.55 146.05 52.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 103' ' ' ARG . 14.8 ttm105 -133.47 143.76 49.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.448 ' CD1' HD11 ' A' ' 74' ' ' ILE . 2.8 mt -119.03 108.72 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 37.6 t -89.47 98.18 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.1 t -87.48 117.86 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.252 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -74.71 132.22 41.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.559 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 32.1 p -51.72 127.84 21.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 108.27 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -61.45 -61.15 2.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -154.74 -65.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -174.18 -65.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -56.09 -62.33 1.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.05 -59.17 4.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -44.11 -53.57 6.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -48.42 -59.36 3.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.12 -53.59 3.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.567 ' CZ3' ' HB2' ' A' ' 51' ' ' LEU . 60.1 m95 -54.29 -51.05 65.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 108.037 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 99.6 mmm -64.68 -17.81 64.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 111.018 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -79.7 -59.06 2.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.517 ' O ' ' N ' ' A' ' 123' ' ' ARG . 7.0 pt20 -61.05 -56.99 14.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.412 ' O ' ' OG1' ' A' ' 125' ' ' THR . 5.5 mt -49.19 -23.8 1.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.5 OUTLIER -69.49 -29.4 67.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 120' ' ' GLN . 3.9 ptp180 -104.72 -36.34 7.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.347 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.478 HD13 ' CD2' ' A' ' 51' ' ' LEU . 25.1 mt -58.86 -70.93 0.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 126' ' ' LYS . 23.7 p -67.66 -61.33 1.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.443 ' N ' ' OG1' ' A' ' 125' ' ' THR . 0.2 OUTLIER 67.71 105.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 21.4 m -52.36 -60.98 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.021 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -150.03 168.8 30.1 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -44.51 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.532 1.806 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.75 152.39 19.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.965 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.2 t -88.23 -58.84 2.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.6 p -134.18 90.74 2.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 0.737 . . . . 0.0 110.034 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.34 81.49 2.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.985 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.33 -168.82 30.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.135 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.16 155.42 46.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 0.0 109.978 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.47 153.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.961 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.81 -71.51 0.37 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -105.33 148.52 26.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.475 ' CG2' ' HG ' ' A' ' 10' ' ' LEU . 1.5 tt -42.21 -36.61 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.475 ' HG ' ' CG2' ' A' ' 9' ' ' ILE . 2.2 pp -147.29 -48.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.98 -69.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.035 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -60.51 157.27 37.4 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.34 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.32 13.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.48 1.779 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.469 HD11 ' CD2' ' A' ' 59' ' ' LEU . 8.2 mt -80.57 156.14 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -94.39 134.54 36.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.322 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 72.22 25.98 2.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.486 ' CZ2' ' CG1' ' A' ' 22' ' ' ILE . 71.5 t-105 -89.42 98.14 11.59 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -122.86 161.0 24.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.081 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.08 -68.02 0.31 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.102 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -165.81 -174.07 2.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.426 ' CB ' HG21 ' A' ' 24' ' ' THR . 0.2 OUTLIER -69.53 160.94 30.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.486 ' CG1' ' CZ2' ' A' ' 17' ' ' TRP . 9.9 tt -93.76 -34.36 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.231 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.408 ' N ' HG22 ' A' ' 22' ' ' ILE . 4.2 mmmt -59.12 -18.84 39.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.426 HG21 ' CB ' ' A' ' 21' ' ' ASP . 48.3 p -72.98 -30.55 63.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.404 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.7 mt -69.37 -63.12 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 162.37 -137.72 4.99 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.98 160.27 23.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.476 HG22 ' CE1' ' A' ' 52' ' ' PHE . 88.0 t -80.16 102.1 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 53' ' ' SER . 1.4 mp -59.66 -77.45 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.571 ' CD1' ' NE1' ' A' ' 117' ' ' TRP . 1.0 OUTLIER -119.86 122.29 40.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.454 ' HE2' ' CD1' ' A' ' 9' ' ' ILE . 33.5 ttm -124.17 121.37 34.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.1 p -156.91 145.8 20.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.004 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -72.56 108.07 5.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.441 ' CG2' HG12 ' A' ' 106' ' ' VAL . 9.6 m -105.22 179.15 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.459 HG23 ' CG ' ' A' ' 46' ' ' GLU . 2.3 t -124.97 112.96 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.509 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.9 tmm? -137.72 124.0 20.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.417 ' NE2' ' H ' ' A' ' 38' ' ' HIS . 2.0 tm0? -120.19 169.32 10.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.417 ' H ' ' NE2' ' A' ' 37' ' ' GLN . 31.0 m-70 -75.53 -76.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.596 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -141.96 -74.06 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -130.05 126.32 37.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -160.09 -168.15 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 108.271 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -44.21 -91.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -133.93 -169.6 2.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -42.68 141.34 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 36' ' ' MET . 3.3 tp10 -105.74 95.96 6.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.459 ' CG ' HG23 ' A' ' 35' ' ' VAL . 18.3 mt-10 -75.63 147.19 39.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.412 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 0.0 OUTLIER -162.5 175.95 10.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -118.36 129.71 55.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.457 ' CG ' HD21 ' A' ' 56' ' ' LEU . 3.1 m-30 -117.22 124.28 48.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.464 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -110.59 110.44 21.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.564 HD23 ' CZ3' ' A' ' 117' ' ' TRP . 7.2 tp -87.88 112.53 22.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.629 ' CE2' HG13 ' A' ' 57' ' ' ILE . 9.0 m-30 -100.2 8.34 43.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.511 ' HA ' ' CD1' ' A' ' 124' ' ' LEU . 9.3 t 65.45 41.11 4.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 178.38 -31.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.426 HG21 ' N ' ' A' ' 56' ' ' LEU . 5.1 p -148.07 142.18 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.457 HD21 ' CG ' ' A' ' 49' ' ' PHE . 1.8 tm? -100.02 100.24 11.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.629 HG13 ' CE2' ' A' ' 52' ' ' PHE . 5.1 mm -84.19 132.06 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.462 ' N ' ' SD ' ' A' ' 58' ' ' MET . 2.3 mpp? -109.12 133.12 53.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.469 ' CD2' HD11 ' A' ' 14' ' ' ILE . 6.0 mp -128.65 161.83 28.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 47' ' ' ARG . 34.2 t -149.61 153.5 37.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.954 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -126.26 73.97 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.467 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -67.02 -53.47 25.55 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.017 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 62' ' ' SER . 18.4 Cg_endo -75.03 -174.59 2.0 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.483 1.78 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.58 151.17 47.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.338 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 ptm -37.74 108.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.7 t 179.29 88.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.13 -175.17 24.9 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -130.86 158.7 39.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 8.9 ttt -112.21 133.52 54.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.421 ' CD1' ' CZ3' ' A' ' 17' ' ' TRP . 53.7 t80 -93.82 131.58 39.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -104.05 -66.56 0.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -144.27 -170.2 13.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.402 ' CD ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -150.59 137.73 19.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 0.787 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.485 ' HB ' ' CE ' ' A' ' 79' ' ' MET . 3.7 mt -111.6 121.07 40.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 124.19 8.4 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.514 1.797 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.457 ' HA ' ' CB ' ' A' ' 79' ' ' MET . 25.9 mm -56.2 -22.82 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.86 -65.27 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -85.35 14.38 50.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.559 1.162 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.485 ' CE ' ' HB ' ' A' ' 74' ' ' ILE . 9.7 ttm -78.09 145.3 35.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 0.741 . . . . 0.0 111.013 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 97' ' ' THR . 41.1 t -126.75 107.5 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.0 t -108.32 148.71 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 15.2 p30 170.67 139.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.62 55.18 1.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 40.77 73.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -88.64 11.05 18.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.473 ' C ' ' CD1' ' A' ' 87' ' ' ILE . 3.0 mt-10 -90.47 -7.04 54.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.533 ' N ' ' CD1' ' A' ' 87' ' ' ILE . 0.9 OUTLIER -112.83 -148.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -142.96 88.26 2.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 52.71 102.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 13.4 t -116.16 -61.2 1.76 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 0.781 . . . . 0.0 110.007 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -172.73 179.89 2.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.359 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 114' ' ' PHE . 26.9 p -83.46 70.52 10.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 108.27 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.8 ptt? -146.2 159.06 43.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.4 ' CD1' ' SD ' ' A' ' 118' ' ' MET . 33.1 p90 -137.49 170.11 16.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -120.18 139.55 52.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 76.3 mt -113.6 100.21 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.471 ' CG2' ' HA ' ' A' ' 103' ' ' ARG . 0.7 OUTLIER -130.67 -174.22 3.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.398 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 99' ' ' SER . . . -129.83 -62.17 0.1 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 98' ' ' GLY . 2.9 p 160.98 48.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.475 ' O ' ' CG2' ' A' ' 101' ' ' VAL . 22.4 m -158.13 -92.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.505 ' O ' ' CG1' ' A' ' 101' ' ' VAL . 41.9 t -157.91 57.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 109.353 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -129.69 20.48 5.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.277 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.471 ' HA ' ' CG2' ' A' ' 97' ' ' THR . 41.0 ttm180 -49.9 131.5 22.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.474 ' CD1' HD12 ' A' ' 74' ' ' ILE . 2.6 mt -126.67 108.2 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.7 t -93.34 100.22 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.441 HG12 ' CG2' ' A' ' 34' ' ' VAL . 8.9 t -86.22 126.82 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -85.24 164.12 18.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.621 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 86.1 m -152.33 146.25 25.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 108.295 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -104.58 -52.29 2.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -99.54 -176.46 3.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -114.1 21.15 15.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -97.63 -69.21 0.77 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -53.63 -48.78 69.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.577 ' CE1' ' HG3' ' A' ' 118' ' ' MET . 11.4 t80 -53.1 -53.18 54.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.088 . . . . 0.0 111.005 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.6 -61.41 1.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.331 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.414 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -47.75 -59.38 3.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.571 ' NE1' ' CD1' ' A' ' 30' ' ' PHE . 40.0 m95 -46.14 -49.58 16.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 108.022 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.577 ' HG3' ' CE1' ' A' ' 114' ' ' PHE . 98.9 mmm -61.68 -33.45 74.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.69 -64.17 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 123' ' ' ARG . 1.5 pt20 -55.94 -58.9 5.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.415 ' H ' ' CG ' ' A' ' 120' ' ' GLN . 8.1 mt -41.64 -29.34 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.405 ' N ' ' C ' ' A' ' 120' ' ' GLN . 0.4 OUTLIER -74.33 -50.2 19.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 120' ' ' GLN . 13.6 ptt180 -73.44 -22.46 60.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.511 ' CD1' ' HA ' ' A' ' 53' ' ' SER . 12.2 mt -74.22 -76.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 62.0 p -48.47 -51.6 26.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.369 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 123' ' ' ARG . 1.2 mttm -102.36 -163.16 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.35 -54.77 3.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.023 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 155.01 -161.96 30.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 165.42 31.33 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.32 153.26 47.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 35.2 p -164.88 -58.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.428 1.08 . . . . 0.0 111.023 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.47 -69.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.998 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.4 m -150.59 170.69 18.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.929 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.09 138.57 2.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 m -169.92 166.59 9.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.747 . . . . 0.0 109.996 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 t -153.78 150.09 28.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 110.039 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.63 116.55 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 65.72 146.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 0.74 . . . . 0.0 110.303 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.484 ' O ' ' O ' ' A' ' 10' ' ' LEU . 9.6 mm 62.23 128.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.484 ' O ' ' O ' ' A' ' 9' ' ' ILE . 3.7 pp 41.62 -166.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.437 ' N ' HD13 ' A' ' 10' ' ' LEU . 1.1 m 79.96 -61.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -120.94 158.68 51.74 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 159.28 41.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.472 HD13 ' CD2' ' A' ' 59' ' ' LEU . 4.4 mt -85.88 159.14 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.407 ' N ' HG23 ' A' ' 14' ' ' ILE . 7.9 tt0 -94.93 131.29 41.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 69.1 39.71 1.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.565 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 75.9 t-105 -82.18 -40.98 20.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 108.008 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 72.85 165.67 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 20' ' ' ASP . . . -48.7 125.15 13.49 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 0.5 OUTLIER 161.84 154.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 0.787 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.482 ' O ' ' CG2' ' A' ' 24' ' ' THR . 3.2 m-20 -98.9 107.46 19.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.565 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 9.2 tt -71.06 -12.51 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.436 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -92.61 -7.36 47.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.482 ' CG2' ' O ' ' A' ' 21' ' ' ASP . 4.9 t -86.29 -25.03 25.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 110.352 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.3 mt -72.87 -93.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 178.86 171.98 42.69 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.459 1.099 . . . . 0.0 111.04 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -66.94 167.29 11.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 0.744 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.487 HG21 ' CE1' ' A' ' 52' ' ' PHE . 79.3 t -83.76 99.6 6.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.496 ' CD1' ' HB3' ' A' ' 53' ' ' SER . 70.7 mt -54.95 -78.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.64 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -135.11 123.39 23.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.471 ' CE ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -122.79 148.21 45.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -163.91 172.21 14.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.036 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -94.79 105.51 17.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.464 ' CG2' HG11 ' A' ' 106' ' ' VAL . 20.3 m -111.87 176.35 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.504 ' CG2' ' CD ' ' A' ' 46' ' ' GLU . 2.3 t -125.19 112.26 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.469 ' HG3' ' CG2' ' A' ' 104' ' ' ILE . 2.8 tmm? -130.84 125.39 33.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.453 ' HB3' ' CG ' ' A' ' 45' ' ' GLU . 9.1 pt20 -129.09 173.09 10.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -81.39 -62.58 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.598 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -160.55 -70.85 0.02 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.523 1.139 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -143.65 112.18 6.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -130.24 -74.34 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 108.315 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.42 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 1.1 mm-40 -139.63 -80.14 0.3 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 3.9 mm-40 -137.34 -168.79 2.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.257 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -43.78 148.63 0.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' MET . 66.2 mm-40 -117.55 83.07 1.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.504 ' CD ' ' CG2' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -70.34 129.73 40.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -143.51 153.79 42.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.241 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -103.72 107.69 18.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.584 ' CE1' HD13 ' A' ' 56' ' ' LEU . 2.4 m-30 -94.94 125.41 39.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.471 HD22 ' CE ' ' A' ' 31' ' ' MET . 1.8 mt -117.75 113.64 22.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.551 HD23 ' CZ3' ' A' ' 117' ' ' TRP . 5.5 tp -84.89 102.6 13.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.585 ' CE2' HG13 ' A' ' 57' ' ' ILE . 4.8 m-30 -84.51 2.86 39.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.496 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 1.1 p 74.32 43.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.05 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.4 t 173.81 -30.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.6 p -148.24 142.35 19.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.584 HD13 ' CE1' ' A' ' 49' ' ' PHE . 2.2 tm? -91.37 95.45 10.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.585 HG13 ' CE2' ' A' ' 52' ' ' PHE . 37.7 mm -76.51 131.13 35.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.583 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 11.4 mtm -114.09 125.81 54.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.472 ' CD2' HD13 ' A' ' 14' ' ' ILE . 5.1 mp -121.71 159.05 27.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 p -152.2 135.07 15.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -96.09 98.93 10.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.35 163.51 26.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 67.34 5.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -128.86 -59.7 1.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.1 ttp -174.35 150.02 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.8 t -39.16 147.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 118.76 -176.97 16.29 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.12 . . . . 0.0 111.024 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.0 m-30 -117.28 151.61 36.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 111.014 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 16.0 ttt -118.34 116.91 27.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.468 ' OH ' ' CG ' ' A' ' 73' ' ' LYS . 11.7 t80 -68.87 134.61 49.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -134.53 78.65 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 74.11 166.67 14.68 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.468 ' CG ' ' OH ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -144.05 141.83 30.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 109.289 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.469 ' HB ' ' CE ' ' A' ' 79' ' ' MET . 2.8 mt -113.68 121.58 36.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 129.12 12.03 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.498 1.788 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.46 ' HA ' ' CB ' ' A' ' 79' ' ' MET . 21.7 mm -58.64 -18.07 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.43 -68.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -78.25 3.52 62.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.454 1.096 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.469 ' CE ' ' HB ' ' A' ' 74' ' ' ILE . 21.7 ttm -73.44 134.55 43.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 0.737 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.1 t -122.94 106.68 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.0 t -101.84 153.98 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 54.4 p30 175.33 160.78 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -90.77 25.69 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 44.56 71.08 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -79.32 0.33 29.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.41 ' C ' ' CD1' ' A' ' 87' ' ' ILE . 2.9 mt-10 -63.56 -12.22 30.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 0.0 110.28 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.535 ' N ' ' CD1' ' A' ' 87' ' ' ILE . 1.0 OUTLIER -108.53 -145.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -144.66 71.8 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 47.47 95.41 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.4 -63.07 1.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 0.742 . . . . 0.0 110.006 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -135.88 171.08 14.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.423 ' O ' ' CE1' ' A' ' 114' ' ' PHE . 98.4 m -97.54 73.99 2.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 108.285 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -137.98 179.82 6.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 94' ' ' PHE . 3.5 p90 -155.5 168.18 27.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.985 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -118.98 142.47 47.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.405 ' O ' ' HB ' ' A' ' 104' ' ' ILE . 4.0 mt -119.27 91.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.469 ' CG2' ' HG3' ' A' ' 103' ' ' ARG . 73.1 p -96.25 -175.9 3.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.371 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 154.18 -21.85 0.66 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -67.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 110.009 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.474 ' O ' ' CG2' ' A' ' 101' ' ' VAL . 0.1 OUTLIER 175.15 -34.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.433 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.579 ' O ' ' C ' ' A' ' 102' ' ' GLU . 54.7 t -157.32 -42.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.579 ' C ' ' O ' ' A' ' 101' ' ' VAL . 25.1 tt0 -22.69 -66.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.34 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.469 ' HG3' ' CG2' ' A' ' 97' ' ' THR . 11.7 ttm180 66.13 140.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.469 ' CG2' ' HG3' ' A' ' 36' ' ' MET . 6.5 mt -116.39 127.44 74.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.5 t -104.98 97.21 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.464 HG11 ' CG2' ' A' ' 34' ' ' VAL . 22.0 t -83.4 118.61 31.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -90.24 121.41 32.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.597 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 19.2 m -113.94 173.59 6.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.276 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -146.07 -48.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.253 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.47 174.98 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -117.42 -55.39 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -61.66 2.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.06 -59.64 4.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.423 ' CE1' ' O ' ' A' ' 92' ' ' CYS . 65.2 t80 -41.74 -55.81 2.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -45.68 -61.36 1.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.261 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.553 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -38.39 -59.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 110.273 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.64 ' CZ2' ' O ' ' A' ' 30' ' ' PHE . 38.8 m95 -42.52 -51.33 5.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 107.974 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.41 ' SD ' ' CZ ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -59.25 -42.23 90.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -68.95 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.428 ' O ' ' HG ' ' A' ' 124' ' ' LEU . 0.6 OUTLIER -48.18 -59.34 3.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 110.28 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 122' ' ' ASN . 12.1 mt -44.78 -55.08 5.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 121' ' ' LEU . 0.3 OUTLIER -39.06 -32.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.435 ' NH1' ' HB2' ' A' ' 123' ' ' ARG . 9.9 ttm105 -92.34 -59.78 2.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.345 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.504 HD11 ' CD2' ' A' ' 51' ' ' LEU . 6.7 mt -45.73 -54.77 7.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 11.0 p -88.78 38.29 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.429 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.21 -68.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 18.2 t 58.87 101.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -141.96 -168.45 11.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.13 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 100.76 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.486 1.782 . . . . 0.0 111.061 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 99.9 p -108.99 120.84 43.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.958 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.44 97.99 5.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.975 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 t -102.42 149.38 24.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.744 . . . . 0.0 110.024 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 p -101.01 150.47 22.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.011 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.17 -124.84 2.8 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.5 m 63.19 134.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 0.0 110.051 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 m 61.84 150.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.97 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.48 73.92 0.41 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.436 ' C ' ' N ' ' A' ' 10' ' ' LEU . 1.7 mp0 -104.59 -56.96 2.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 110.311 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 tt -43.3 -27.53 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.08 . . . . 0.0 109.315 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.436 ' N ' ' C ' ' A' ' 8' ' ' GLN . 0.3 OUTLIER -125.92 162.89 24.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m 74.71 -58.35 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.968 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -76.46 152.93 83.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 140.8 25.8 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 111.008 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 15' ' ' GLN . 6.4 mt -83.97 137.44 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.416 ' N ' HG22 ' A' ' 14' ' ' ILE . 4.6 tt0 -75.16 138.66 42.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 67.88 20.59 9.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -84.11 93.89 8.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 108.017 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.32 149.34 40.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.59 -65.77 0.59 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -177.7 -167.08 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 0.739 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.474 ' CB ' HG21 ' A' ' 24' ' ' THR . 1.1 m-20 -68.58 154.09 42.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.5 tt -83.98 -27.68 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.51 -19.82 65.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.474 HG21 ' CB ' ' A' ' 21' ' ' ASP . 19.3 p -70.08 -25.67 63.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.414 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 70.1 mt -80.67 -71.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.83 -139.44 5.79 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.458 1.099 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.53 -167.79 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.558 HG23 ' CE1' ' A' ' 52' ' ' PHE . 78.0 t -113.54 104.2 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.501 ' CG2' ' OE1' ' A' ' 120' ' ' GLN . 25.8 mt -55.91 -76.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.6 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -132.05 124.78 29.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.9 ptm -122.25 135.47 54.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.0 p -161.36 160.41 29.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.949 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -82.47 107.14 14.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.468 ' HB ' ' CG1' ' A' ' 106' ' ' VAL . 27.5 m -105.52 174.47 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.507 ' CG2' ' CD ' ' A' ' 46' ' ' GLU . 1.4 t -126.66 106.66 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.441 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 1.7 tmm? -127.62 121.64 31.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.448 ' CG ' ' HG3' ' A' ' 45' ' ' GLU . 21.3 tm0? -128.79 149.23 50.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.599 ' CG ' ' N ' ' A' ' 39' ' ' GLY . 0.8 OUTLIER -46.93 -88.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.64 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.599 ' N ' ' CG ' ' A' ' 38' ' ' HIS . . . -167.17 90.83 0.1 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 76.58 120.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 109.303 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.404 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -170.18 -153.67 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 108.319 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -53.94 -82.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -142.32 -174.57 4.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -44.45 159.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.448 ' HG3' ' CG ' ' A' ' 37' ' ' GLN . 17.4 mt-10 -121.8 80.99 1.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.507 ' CD ' ' CG2' ' A' ' 35' ' ' VAL . 0.6 OUTLIER -66.91 130.08 41.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.9 mtm-85 -149.29 178.26 8.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -121.15 129.01 53.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.564 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 2.3 m-30 -116.55 114.07 23.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 mt -103.58 111.27 23.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.512 ' CD2' HD12 ' A' ' 124' ' ' LEU . 8.5 tp -88.82 111.95 22.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.614 ' CE2' HG13 ' A' ' 57' ' ' ILE . 8.0 m-30 -94.4 3.71 54.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.477 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 1.0 OUTLIER 75.0 37.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.043 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.69 -30.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 110.031 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.7 p -142.83 148.32 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.511 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 2.0 tm? -104.72 93.96 5.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.614 HG13 ' CE2' ' A' ' 52' ' ' PHE . 8.6 mm -77.04 126.07 37.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.564 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 27.4 mtm -109.97 131.93 54.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.9 mp -123.61 160.77 26.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.6 m -137.59 130.97 30.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.07 -172.12 2.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.472 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.1 OUTLIER 172.92 -54.61 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.988 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.472 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.2 Cg_endo -74.95 -178.48 4.18 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.86 74.86 1.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 169.72 -35.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.09 -178.62 5.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.997 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.92 -125.91 3.3 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.574 1.171 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -131.69 155.36 47.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.783 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.8 ttt -115.64 129.04 56.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -87.18 142.7 27.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 111.068 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -115.53 -72.09 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -138.76 179.32 18.62 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.0 pttt -145.72 134.52 22.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.479 ' HB ' ' CE ' ' A' ' 79' ' ' MET . 9.4 mt -115.4 123.94 30.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 127.04 10.38 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.456 1.767 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.461 ' CG2' ' O ' ' A' ' 124' ' ' LEU . 22.1 mm -46.03 -28.53 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.28 -72.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.37 -18.32 55.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.548 1.155 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.479 ' CE ' ' HB ' ' A' ' 74' ' ' ILE . 12.8 ttm -57.61 137.86 55.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 0.774 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.3 t -132.36 114.81 24.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 t -114.21 146.76 18.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.56 ' O ' ' C ' ' A' ' 83' ' ' ARG . 45.1 m-20 -170.59 39.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.56 ' C ' ' O ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER 25.15 49.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.516 ' CD2' ' C ' ' A' ' 94' ' ' PHE . 1.3 mm? 43.79 59.77 2.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.541 ' N ' ' O ' ' A' ' 82' ' ' ASN . 3.7 p30 167.06 139.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -72.83 -9.95 59.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -78.38 -143.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.419 ' HA ' ' NE ' ' A' ' 83' ' ' ARG . 5.9 pt-20 -144.22 56.39 1.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . 144.17 -109.06 0.52 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.52 1.138 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.5 t 66.79 -71.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 0.802 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 89' ' ' GLY . 0.6 OUTLIER -111.11 177.03 4.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -113.12 86.99 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 108.272 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 171.44 158.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.516 ' C ' ' CD2' ' A' ' 84' ' ' LEU . 16.2 p90 -148.6 168.97 21.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.458 ' HB3' ' CD2' ' A' ' 84' ' ' LEU . 4.4 pt-20 -125.69 154.14 42.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 60.0 mt -125.65 91.11 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 62.3 p -99.22 -178.2 3.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.399 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -158.83 -76.36 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.0 t -144.36 31.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 109.997 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.1 p -136.27 -172.43 3.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 102' ' ' GLU . 10.6 m -115.29 -29.3 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 101' ' ' VAL . 0.1 OUTLIER -38.48 -46.35 1.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 103' ' ' ARG . 17.8 ttm105 61.53 135.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.47 ' CD1' HD13 ' A' ' 74' ' ' ILE . 4.2 mt -99.39 107.9 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.5 t -94.54 98.25 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.468 ' CG1' ' HB ' ' A' ' 34' ' ' VAL . 14.4 t -85.17 110.35 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -71.3 126.25 29.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.602 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 30.7 p -50.4 158.95 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 108.303 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.422 ' O ' ' ND2' ' A' ' 110' ' ' ASN . 44.7 t-20 -130.35 -45.96 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 1.6 m-80 -154.35 141.36 19.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 112' ' ' GLN . 0.6 OUTLIER -48.77 -71.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.44 ' NE2' ' OD1' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -36.43 -68.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.44 ' OD1' ' NE2' ' A' ' 112' ' ' GLN . 0.8 OUTLIER -48.22 -64.08 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -40.27 -63.44 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -40.49 -53.7 2.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.443 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -49.05 -60.58 2.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.6 ' CZ2' ' O ' ' A' ' 30' ' ' PHE . 44.3 m95 -43.84 -52.1 6.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 108.036 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.472 ' CE ' ' HB3' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -59.54 -43.74 93.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 110.979 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -68.25 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.501 ' OE1' ' CG2' ' A' ' 29' ' ' ILE . 9.0 pt20 -51.82 -56.93 10.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.436 ' C ' ' N ' ' A' ' 123' ' ' ARG . 8.6 mt -45.29 -53.52 8.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -41.0 -29.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 123' ' ' ARG . 11.9 ttm105 -96.64 -59.37 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.512 HD12 ' CD2' ' A' ' 51' ' ' LEU . 9.3 mt -42.67 -56.73 3.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 60.6 p -67.77 -42.94 80.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.02 53.6 7.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 24.8 t -122.52 149.02 44.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.966 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 124.65 162.08 11.27 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.431 1.082 . . . . 0.0 111.031 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 106.53 2.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.524 1.802 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.01 130.45 43.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.46 99.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 110.011 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.26 120.38 31.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.76 . . . . 0.0 109.981 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.66 160.25 41.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.011 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.27 114.36 3.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.148 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.3 p -154.41 145.16 22.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 0.78 . . . . 0.0 110.003 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -100.95 168.74 9.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.4 -120.61 0.87 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.536 1.147 . . . . 0.0 111.04 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.445 ' C ' ' N ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -131.19 -58.59 1.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 0.743 . . . . 0.0 110.335 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 tt -40.54 -29.63 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.445 ' N ' ' C ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER -124.01 54.8 1.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 8' ' ' GLN . 1.8 t -178.87 -57.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.029 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -77.11 157.56 81.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 125.62 9.48 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.471 HD12 ' CD2' ' A' ' 59' ' ' LEU . 4.3 mt -71.25 124.01 26.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.536 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 4.1 tt0 -57.75 138.38 55.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.536 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . 86.5 -39.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.58 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 31.8 t-105 -40.2 111.87 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 20' ' ' ASP . 29.8 mt-10 -70.76 164.69 24.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.258 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -50.87 93.05 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.128 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.0 t0 -165.17 169.11 16.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.418 ' CB ' ' HB ' ' A' ' 24' ' ' THR . 51.4 m-20 -103.5 124.55 48.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.58 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 11.9 tt -84.16 -16.65 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.176 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HD2' ' CG2' ' A' ' 22' ' ' ILE . 0.9 OUTLIER -91.51 -2.73 57.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.418 ' HB ' ' CB ' ' A' ' 21' ' ' ASP . 5.1 t -89.47 -19.4 25.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 110.4 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 81.6 mt -70.68 -76.62 0.1 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.32 -118.46 0.48 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -150.22 134.81 17.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.789 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.511 HG21 ' CE1' ' A' ' 52' ' ' PHE . 64.9 t -60.29 92.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.253 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 53' ' ' SER . 8.9 mt -55.08 -79.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.535 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 14.2 t80 -131.39 126.25 34.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.4 ptm -126.22 142.86 51.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.8 t -161.06 160.93 31.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.986 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -76.85 106.25 8.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.8 m -108.27 173.1 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.504 ' CG2' ' CD ' ' A' ' 46' ' ' GLU . 2.1 t -124.54 110.81 26.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.49 ' HE3' ' CZ ' ' A' ' 49' ' ' PHE . 2.4 tmm? -132.22 125.95 32.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.88 163.38 13.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -80.37 -76.3 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.608 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.66 97.24 0.11 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 52.59 97.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.323 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.48 -75.34 0.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 108.265 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.407 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -143.47 -81.92 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.407 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 5.2 mm-40 -137.5 -168.89 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -43.5 148.55 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.172 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 36' ' ' MET . 42.9 mm-40 -121.82 88.12 2.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.504 ' CD ' ' CG2' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -69.62 138.43 53.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -157.62 172.13 19.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -115.58 131.52 56.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.582 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 2.0 m-30 -118.82 123.5 44.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.12 118.94 36.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.522 ' HB2' ' CH2' ' A' ' 117' ' ' TRP . 8.8 tp -95.36 115.95 28.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.594 ' CE2' HG13 ' A' ' 57' ' ' ILE . 8.1 m-30 -96.16 4.52 52.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.469 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 0.9 OUTLIER 76.27 33.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.38 -32.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.8 p -138.74 144.38 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.492 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 2.4 tm? -100.32 94.1 6.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.594 HG13 ' CE2' ' A' ' 52' ' ' PHE . 14.8 mm -76.12 133.42 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.582 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 30.8 mtm -118.24 130.69 56.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.471 ' CD2' HD12 ' A' ' 14' ' ' ILE . 2.8 mp -118.63 161.11 20.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.47 118.85 8.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.95 112.26 13.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.16 171.44 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.012 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 50.9 2.62 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.452 1.764 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 65' ' ' MET . 0.0 OUTLIER 173.04 37.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.427 ' HG3' ' N ' ' A' ' 66' ' ' SER . 13.7 ptm 37.13 -157.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.427 ' N ' ' HG3' ' A' ' 65' ' ' MET . 0.6 OUTLIER 64.64 114.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.965 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 58.15 153.85 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.13 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -111.0 163.17 14.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.4 ttt -119.77 128.77 54.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 111.017 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.444 ' CD1' ' CE3' ' A' ' 17' ' ' TRP . 28.3 t80 -87.49 119.7 28.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -86.99 -69.61 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.241 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -148.62 -179.54 24.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -134.49 139.17 45.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.746 . . . . 0.0 109.264 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.505 ' CG2' ' CE ' ' A' ' 79' ' ' MET . 8.5 mt -119.89 122.98 28.71 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 129.44 12.39 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.489 1.784 . . . . 0.0 111.032 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.423 ' HA ' ' CB ' ' A' ' 79' ' ' MET . 28.9 mm -56.52 -22.9 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.85 -75.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.87 -15.48 62.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.567 1.167 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.505 ' CE ' ' CG2' ' A' ' 74' ' ' ILE . 6.4 ttm -54.37 135.36 45.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 0.765 . . . . 0.0 110.958 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.0 t -123.51 108.17 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.7 t -115.48 144.18 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.4 p30 178.11 133.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 84' ' ' LEU . 1.7 ttt180 -40.85 99.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.43 ' O ' ' O ' ' A' ' 83' ' ' ARG . 11.7 mt -40.41 -92.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 t0 56.13 17.73 2.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -87.39 -15.43 37.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.502 ' O ' ' CG2' ' A' ' 87' ' ' ILE . 1.4 mm -80.15 0.29 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 87' ' ' ILE . 4.8 pt-20 37.72 81.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 102.88 88.75 2.07 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 t -166.52 -78.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 0.79 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -177.77 175.49 1.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.355 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.517 ' O ' ' CZ ' ' A' ' 114' ' ' PHE . 27.0 p -86.55 72.54 10.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 108.323 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -110.48 -172.43 2.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.428 ' CD2' ' SD ' ' A' ' 118' ' ' MET . 21.8 p90 -156.81 158.27 36.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 22.6 pt-20 -113.13 168.4 9.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.0 mt -131.61 91.69 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.474 ' CG2' ' HA ' ' A' ' 103' ' ' ARG . 70.6 p -106.03 179.71 4.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.385 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.2 -77.09 0.21 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 83.0 p -178.17 37.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 109.967 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.437 ' CG2' ' N ' ' A' ' 101' ' ' VAL . 8.5 m -159.96 -105.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.533 ' O ' ' CG1' ' A' ' 101' ' ' VAL . 30.8 t -140.06 56.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.584 ' CG ' ' O ' ' A' ' 102' ' ' GLU . 9.3 tt0 -118.63 14.43 13.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.474 ' HA ' ' CG2' ' A' ' 97' ' ' THR . 42.7 ttm180 -41.56 130.9 3.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.455 ' CD1' HD13 ' A' ' 74' ' ' ILE . 1.8 mt -128.99 109.61 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 25.0 t -89.06 99.27 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.415 HG22 ' CE2' ' A' ' 49' ' ' PHE . 24.0 t -87.71 114.94 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.152 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -91.82 165.27 13.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.547 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 175.61 151.58 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 108.276 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -109.08 -51.58 2.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.335 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -46.58 169.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -118.11 -50.15 2.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.86 -60.42 2.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.68 -61.09 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.578 ' CZ ' ' HG3' ' A' ' 118' ' ' MET . 34.5 t80 -44.71 -52.13 8.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -43.0 -66.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.5 OUTLIER -38.25 -61.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.535 ' CZ2' ' O ' ' A' ' 30' ' ' PHE . 60.6 m95 -44.17 -53.14 6.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 108.013 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.578 ' HG3' ' CZ ' ' A' ' 114' ' ' PHE . 94.3 mmm -64.97 -28.04 69.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.127 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -71.57 -55.25 8.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.334 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 123' ' ' ARG . 8.2 pt20 -64.86 -58.67 5.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.438 ' H ' ' CG ' ' A' ' 120' ' ' GLN . 9.2 mt -46.87 -25.29 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.3 OUTLIER -68.15 -41.84 80.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.472 ' HG3' ' N ' ' A' ' 124' ' ' LEU . 4.5 ptm180 -91.77 -37.9 12.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.487 HD12 ' CD2' ' A' ' 51' ' ' LEU . 28.5 mt -55.23 -70.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 19.2 p -62.98 -46.35 88.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.378 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.84 107.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.57 118.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.034 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 160.73 157.2 8.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 155.48 42.7 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.13 100.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.1 t -53.77 113.81 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.985 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.7 t -89.92 -58.44 2.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 0.753 . . . . 0.0 109.976 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.71 169.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.965 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.13 62.86 0.44 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.1 t -150.7 164.66 35.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 110.01 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.86 -57.59 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.085 . . . . 0.0 110.032 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 37.73 -148.94 0.06 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 57.87 174.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 110.259 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.401 ' CG2' ' HG ' ' A' ' 10' ' ' LEU . 46.7 mm -48.23 -94.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.401 ' HG ' ' CG2' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -134.5 -65.99 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.8 m -167.61 -65.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.95 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -41.76 155.43 0.23 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 155.47 43.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.525 1.802 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.489 HD13 ' CD2' ' A' ' 59' ' ' LEU . 7.3 mt -74.0 131.69 34.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 17' ' ' TRP . 5.4 tt0 -58.46 146.43 35.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 110.333 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.535 ' O ' ' C ' ' A' ' 17' ' ' TRP . . . 68.4 -67.19 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.535 ' C ' ' O ' ' A' ' 16' ' ' ALA . 26.1 t-105 31.9 84.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' ASP . 3.4 mt-10 -38.25 146.68 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.56 95.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 18' ' ' GLU . 0.7 OUTLIER 177.97 151.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.417 ' HB2' ' CG2' ' A' ' 24' ' ' THR . 90.2 m-20 -91.0 145.56 24.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.526 HD12 ' CH2' ' A' ' 17' ' ' TRP . 2.8 tt -95.35 -18.06 6.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -84.41 -10.28 57.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.417 ' CG2' ' HB2' ' A' ' 21' ' ' ASP . 10.7 p -86.27 -27.08 24.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.43 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.8 mt -75.52 -89.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.14 165.98 30.08 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -53.71 173.69 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.76 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.477 HG22 ' CE1' ' A' ' 52' ' ' PHE . 86.7 t -97.41 103.37 14.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.481 ' CD1' ' HB3' ' A' ' 53' ' ' SER . 18.9 mt -43.37 -77.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 109.343 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -144.01 121.39 11.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.6 149.05 38.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.2 m -161.52 151.89 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.981 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -72.1 103.73 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.241 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.7 m -105.86 178.2 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.505 ' CG2' ' CD ' ' A' ' 46' ' ' GLU . 1.4 t -132.35 115.33 25.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.112 . . . . 0.0 109.242 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.431 ' HE2' ' CZ ' ' A' ' 49' ' ' PHE . 1.4 tmm? -134.53 117.14 15.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -124.78 -173.97 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.557 ' CD2' ' HB2' ' A' ' 41' ' ' CYS . 0.9 OUTLIER -112.63 -163.03 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.572 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 38' ' ' HIS . . . -37.58 -71.58 0.2 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.442 1.089 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -140.87 99.41 3.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.775 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.557 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . 0.5 OUTLIER -115.38 51.99 0.9 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 108.291 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 65.5 -75.96 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 41' ' ' CYS . 11.3 mt-10 -139.53 177.25 8.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -40.85 154.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 36' ' ' MET . 27.2 mm-40 -118.69 86.36 2.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.505 ' CD ' ' CG2' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -61.76 122.22 14.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.345 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -142.18 176.33 9.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.69 131.24 53.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.572 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 2.4 m-30 -116.16 123.42 47.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.402 ' CD2' ' N ' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -110.22 119.21 38.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.47 ' CD2' ' HG3' ' A' ' 120' ' ' GLN . 6.1 tp -95.7 114.94 26.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.654 ' CE2' HG13 ' A' ' 57' ' ' ILE . 9.1 m-30 -98.01 4.43 49.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.481 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 1.1 p 73.91 41.29 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.995 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.58 -28.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 110.014 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.419 HG22 ' N ' ' A' ' 56' ' ' LEU . 3.3 p -142.09 140.08 29.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.498 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 1.7 tm? -100.98 94.04 5.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.654 HG13 ' CE2' ' A' ' 52' ' ' PHE . 4.7 mm -79.41 133.39 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.572 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 25.6 mtm -114.49 125.92 54.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.489 ' CD2' HD13 ' A' ' 14' ' ' ILE . 1.0 OUTLIER -115.23 162.41 17.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.0 118.49 9.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.995 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.56 44.97 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.474 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -59.09 -53.18 68.93 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 62' ' ' SER . 18.3 Cg_endo -75.01 106.94 2.37 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.536 1.808 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.42 125.03 22.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.416 ' O ' ' CB ' ' A' ' 66' ' ' SER . 9.1 tpt 59.0 86.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 65' ' ' MET . 3.9 t 165.13 60.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 44.97 -170.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 111.052 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -106.81 145.49 32.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 26.5 ttt -100.19 149.7 23.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -106.71 132.87 52.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -103.99 -69.72 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.172 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -146.35 172.23 26.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.7 pttt -135.28 142.25 45.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.482 ' CD1' HD11 ' A' ' 104' ' ' ILE . 3.6 mt -113.35 116.47 46.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.416 ' C ' ' N ' ' A' ' 77' ' ' ALA . 18.3 Cg_endo -74.98 122.29 7.12 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.5 mm -40.13 -32.13 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 75' ' ' PRO . . . -63.86 127.35 31.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 77.49 -7.68 38.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.434 ' CE ' ' HB ' ' A' ' 74' ' ' ILE . 44.2 ttm -67.38 136.76 55.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.769 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.9 t -117.67 112.86 40.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.4 t -114.41 134.19 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 42.9 p30 174.7 147.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 85' ' ' ASP . 3.7 mtm180 -57.78 148.87 23.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -70.06 62.08 0.2 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 83' ' ' ARG . 0.5 OUTLIER -178.7 106.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.267 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.15 -9.55 32.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.357 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -73.21 -142.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -145.02 160.23 41.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 40.38 38.96 1.53 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.525 1.14 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.6 t -119.94 55.56 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 0.756 . . . . 0.0 110.027 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.31 133.91 1.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.505 ' O ' ' CG ' ' A' ' 93' ' ' MET . 0.3 OUTLIER -179.71 67.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 108.313 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.505 ' CG ' ' O ' ' A' ' 92' ' ' CYS . 13.9 ptt? 43.12 -167.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -141.32 176.89 8.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.443 ' OE1' ' NE ' ' A' ' 103' ' ' ARG . 6.3 pt-20 -132.95 140.49 47.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 57.8 mt -109.44 99.65 9.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.448 ' CG2' ' HG3' ' A' ' 103' ' ' ARG . 31.7 p -115.76 -175.4 2.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 173.08 -104.94 0.2 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 54.6 p -96.23 39.89 1.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 0.782 . . . . 0.0 109.965 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.44 174.59 14.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 41.3 t -115.59 -28.3 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -39.02 -44.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.448 ' HG3' ' CG2' ' A' ' 97' ' ' THR . 15.2 ttm180 64.31 122.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.334 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.482 HD11 ' CD1' ' A' ' 74' ' ' ILE . 2.8 mt -90.35 110.32 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 44.2 t -94.55 97.31 6.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.449 HG22 ' CE2' ' A' ' 49' ' ' PHE . 21.8 t -85.89 112.37 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -70.31 162.94 27.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.654 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.1 t -97.04 125.47 41.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 108.301 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.8 14.52 10.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -177.54 158.26 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -91.17 -51.26 5.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -61.35 2.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.24 -51.73 8.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.498 ' CE2' ' HG3' ' A' ' 118' ' ' MET . 93.4 t80 -49.47 -66.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -38.7 -44.42 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.258 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.29 -55.21 37.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.419 ' CZ3' HD22 ' A' ' 51' ' ' LEU . 53.9 m95 -54.35 -54.1 44.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 107.945 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.498 ' HG3' ' CE2' ' A' ' 114' ' ' PHE . 95.6 mmm -57.21 -20.39 26.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.47 -63.04 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.47 ' HG3' ' CD2' ' A' ' 51' ' ' LEU . 7.6 pt20 -50.95 -47.66 61.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.252 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.9 mt -57.98 -41.25 82.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -27.88 55.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 120' ' ' GLN . 12.6 ttt-85 -82.89 -55.4 4.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.256 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.454 ' CD1' ' HA ' ' A' ' 53' ' ' SER . 1.4 mt -52.75 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.438 ' OG1' ' N ' ' A' ' 126' ' ' LYS . 60.9 p -54.58 -70.68 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.415 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.438 ' N ' ' OG1' ' A' ' 125' ' ' THR . 0.0 OUTLIER 74.76 75.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.33 -54.99 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -65.8 158.31 47.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 145.83 31.71 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.49 1.784 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.24 -58.47 2.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.21 -61.22 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.987 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.46 166.33 10.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 0.745 . . . . 0.0 110.036 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.04 -56.48 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.68 -89.29 0.71 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.29 146.08 36.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 0.0 110.017 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.2 p -112.59 134.37 54.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.979 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.62 102.46 0.78 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.26 175.49 10.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.441 ' CG2' ' HG ' ' A' ' 10' ' ' LEU . 2.7 mt -120.65 -99.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.441 ' HG ' ' CG2' ' A' ' 9' ' ' ILE . 0.4 OUTLIER -130.65 -61.67 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER 164.86 -64.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -45.28 152.51 0.62 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 110.332 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 168.81 24.01 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.481 ' CG2' ' HB2' ' A' ' 70' ' ' TYR . 8.1 mt -87.69 109.6 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.525 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -60.07 151.09 27.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . 85.56 -37.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.448 ' CH2' ' CD1' ' A' ' 22' ' ' ILE . 30.3 t-105 -39.53 100.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -62.33 174.83 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 20' ' ' ASP . . . -54.23 110.67 1.64 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 2.6 m-20 156.21 139.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.457 ' HB2' ' CG2' ' A' ' 24' ' ' THR . 13.6 m-20 -82.71 152.44 25.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.448 ' CD1' ' CH2' ' A' ' 17' ' ' TRP . 7.1 tt -84.72 -33.37 8.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -50.36 -26.54 5.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.457 ' CG2' ' HB2' ' A' ' 21' ' ' ASP . 33.1 p -61.21 -33.54 73.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.7 mt -77.26 -61.11 2.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 157.86 -141.7 7.96 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -110.78 -172.42 2.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.763 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.402 ' CG1' ' HB2' ' A' ' 31' ' ' MET . 94.0 t -107.94 115.7 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 53' ' ' SER . 29.1 mt -72.41 -72.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.52 114.4 18.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.406 ' CE ' HD21 ' A' ' 50' ' ' LEU . 38.0 ttm -117.12 126.23 52.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.4 t -160.93 168.88 23.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.016 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -85.87 108.54 18.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.4 m -105.89 170.52 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.457 HG22 ' CG ' ' A' ' 46' ' ' GLU . 1.4 t -118.19 110.66 31.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.561 ' HE1' ' CZ ' ' A' ' 49' ' ' PHE . 1.5 tmm? -139.27 123.29 17.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.79 -72.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -171.12 -74.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.584 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 169.62 82.99 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 66.8 130.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.2 t -178.75 -74.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 108.259 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.425 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 2.3 mp0 -127.15 -73.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 12.5 mm-40 -142.08 -168.34 2.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.0 ptpp? -84.81 138.2 32.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -103.6 91.72 4.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.457 ' CG ' HG22 ' A' ' 35' ' ' VAL . 11.4 mt-10 -69.07 144.93 53.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.446 ' NH1' ' OG ' ' A' ' 60' ' ' SER . 0.1 OUTLIER -162.79 176.96 9.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -114.0 131.55 56.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 111.03 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.574 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 1.3 m-30 -120.19 116.83 26.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.414 ' CD1' HD21 ' A' ' 59' ' ' LEU . 0.6 OUTLIER -102.25 110.51 22.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.49 ' CD2' HD11 ' A' ' 124' ' ' LEU . 10.2 tp -85.77 108.52 18.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.595 ' CE2' HG13 ' A' ' 57' ' ' ILE . 7.9 m-30 -91.62 -3.82 55.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER 83.93 -13.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.031 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.27 7.9 2.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.042 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.42 ' N ' HG12 ' A' ' 76' ' ' ILE . 6.8 p -177.88 146.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.507 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 2.3 tm? -109.03 94.34 4.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.595 HG13 ' CE2' ' A' ' 52' ' ' PHE . 7.0 mm -77.36 133.52 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.574 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 8.2 mtm -114.95 128.17 56.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.479 ' CD2' ' CD1' ' A' ' 14' ' ' ILE . 2.1 mp -118.31 155.63 30.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.446 ' OG ' ' NH1' ' A' ' 47' ' ' ARG . 2.2 m -131.9 136.35 47.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.016 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -126.56 98.45 5.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.372 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 p -56.07 159.85 5.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.024 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 58.08 4.75 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 177.25 168.61 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.494 ' O ' ' CB ' ' A' ' 66' ' ' SER . 8.1 tpt -40.8 120.6 1.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 65' ' ' MET . 2.7 t 159.41 123.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 66' ' ' SER . . . -60.4 -133.58 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -109.57 141.15 42.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 0.0 111.012 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.2 ttt -118.49 115.0 23.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.481 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 54.2 t80 -66.74 134.8 52.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -145.95 97.39 2.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.344 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 69.1 159.11 1.78 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.142 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.7 pttt -147.82 128.92 14.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.745 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.457 ' CD1' HG23 ' A' ' 96' ' ' ILE . 7.7 mt -98.13 109.77 53.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 130.98 13.76 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.531 1.806 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.465 ' HA ' ' CB ' ' A' ' 79' ' ' MET . 30.6 mm -49.39 -28.27 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.64 -64.64 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.425 ' O ' ' CA ' ' A' ' 98' ' ' GLY . . . -85.2 13.43 54.81 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.476 1.11 . . . . 0.0 111.043 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.465 ' CB ' ' HA ' ' A' ' 76' ' ' ILE . 35.5 ttm -82.29 125.54 31.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 111.049 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.8 t -114.18 108.15 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.9 t -108.53 143.63 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -175.53 165.85 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -90.49 33.48 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.402 HD12 ' N ' ' A' ' 95' ' ' GLU . 1.0 OUTLIER 40.56 55.68 2.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -97.49 13.27 30.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -67.69 -8.02 31.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.538 ' N ' ' CD1' ' A' ' 87' ' ' ILE . 0.9 OUTLIER -97.73 -146.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -117.76 99.79 7.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.344 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 55.35 66.28 2.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.3 t -134.24 90.66 2.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.993 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.407 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 0.6 OUTLIER -110.67 120.64 43.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 91' ' ' ASP . 0.1 OUTLIER 167.01 127.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.275 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 48.1 mtm 59.59 176.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -141.5 157.13 45.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.482 ' HB2' ' CG ' ' A' ' 103' ' ' ARG . 5.9 pt-20 -112.3 155.63 23.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.457 HG23 ' CD1' ' A' ' 74' ' ' ILE . 24.7 mt -129.42 99.52 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 52.6 p -115.12 -175.62 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.425 ' CA ' ' O ' ' A' ' 78' ' ' GLY . . . 154.93 -38.61 0.64 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.467 ' O ' ' CG2' ' A' ' 100' ' ' THR . 0.1 OUTLIER -52.13 -75.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 110.025 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 99' ' ' SER . 6.5 p -157.48 -78.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.436 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 14.2 m -117.24 -7.65 11.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -66.38 149.7 50.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.482 ' CG ' ' HB2' ' A' ' 95' ' ' GLU . 22.6 ttm180 -141.71 138.2 32.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.472 ' CG2' ' HG3' ' A' ' 36' ' ' MET . 2.5 mt -109.84 112.94 42.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.2 t -94.61 98.01 7.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.7 t -87.8 124.72 41.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -85.3 122.64 29.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.626 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 114' ' ' PHE . 32.1 p -52.24 133.28 34.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 108.294 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -91.57 -48.33 6.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.472 ' O ' ' CB ' ' A' ' 114' ' ' PHE . 0.5 OUTLIER -149.98 158.69 44.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.69 -64.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.25 -68.01 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.82 -62.5 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 108' ' ' CYS . 88.0 t80 -45.71 -66.29 0.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 111.007 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -42.2 -46.84 4.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.251 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.01 -61.87 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.445 ' O ' ' CD1' ' A' ' 121' ' ' LEU . 61.1 m95 -43.7 -53.31 5.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 108.034 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 1.1 mtp -59.45 -38.05 79.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.04 -69.67 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.431 ' NE2' ' HA ' ' A' ' 117' ' ' TRP . 1.6 pt20 -48.8 -55.1 12.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.445 ' CD1' ' O ' ' A' ' 117' ' ' TRP . 5.7 mt -47.13 -51.97 16.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.432 ' O ' ' CG ' ' A' ' 126' ' ' LYS . 0.3 OUTLIER -45.8 -27.81 0.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.447 ' NH1' ' HB2' ' A' ' 123' ' ' ARG . 11.1 ttm105 -94.29 -58.2 2.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.49 HD11 ' CD2' ' A' ' 51' ' ' LEU . 9.5 mt -38.16 -69.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 50.4 p -52.6 -48.71 66.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.415 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.432 ' CG ' ' O ' ' A' ' 122' ' ' ASN . 0.0 OUTLIER -41.61 -66.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 55.6 m 60.03 115.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.011 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 118.85 159.19 10.99 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 129.79 12.66 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.8 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 13.1 p -75.44 -55.24 5.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.996 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.62 118.99 22.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.971 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.952 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.7 t -136.53 134.22 37.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.756 . . . . 0.0 109.972 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 p -96.75 143.11 27.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.018 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.3 157.02 22.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.444 1.09 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -62.69 153.79 31.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 0.754 . . . . 0.0 110.026 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 t -84.27 124.14 30.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.107 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.12 82.54 0.07 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -121.89 166.86 13.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.473 ' CD1' ' HE2' ' A' ' 31' ' ' MET . 47.0 mm -52.75 -100.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.427 ' HG ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -132.0 -60.07 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.71 -73.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.986 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -57.8 157.04 16.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 176.0 10.46 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.465 1.771 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.405 HG23 ' N ' ' A' ' 15' ' ' GLN . 4.2 mt -84.49 159.08 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.405 ' N ' HG23 ' A' ' 14' ' ' ILE . 8.0 tt0 -104.03 134.94 46.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 75.8 33.23 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.583 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 60.0 t-105 -89.7 119.49 30.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 107.971 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' ASP . 55.9 mt-10 -57.02 166.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.13 76.41 0.05 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 18' ' ' GLU . 8.1 p-10 -160.32 170.51 20.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 0.785 . . . . 0.0 109.245 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.437 ' O ' ' CG2' ' A' ' 24' ' ' THR . 1.0 OUTLIER -103.5 139.82 38.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.583 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 5.8 tt -80.41 -27.68 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -81.42 -5.25 57.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.437 ' CG2' ' O ' ' A' ' 21' ' ' ASP . 2.4 t -87.57 -27.55 22.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.402 ' N ' HG23 ' A' ' 24' ' ' THR . 67.9 mt -72.39 -67.82 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.24 156.43 10.71 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.465 1.103 . . . . 0.0 111.026 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 -57.71 155.59 9.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 0.768 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.568 HG22 ' CE1' ' A' ' 52' ' ' PHE . 95.8 t -82.37 108.5 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.479 ' CD1' ' HB3' ' A' ' 53' ' ' SER . 35.0 mt -59.97 -74.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.565 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.3 OUTLIER -125.43 122.02 35.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 111.024 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.473 ' HE2' ' CD1' ' A' ' 9' ' ' ILE . 37.4 ttm -122.63 117.64 26.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.82 171.68 15.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.017 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -94.32 107.1 19.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.355 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.484 ' HB ' ' CG1' ' A' ' 106' ' ' VAL . 10.6 m -109.9 178.17 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.506 ' CG2' ' CD ' ' A' ' 46' ' ' GLU . 1.6 t -126.08 113.68 35.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.482 ' HG3' ' CG2' ' A' ' 104' ' ' ILE . 2.8 tmm? -133.64 126.17 30.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.11 -179.48 4.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -101.67 -161.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.586 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.82 59.09 0.51 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -176.82 107.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 0.742 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.47 ' O ' ' O ' ' A' ' 42' ' ' GLU . 0.8 OUTLIER -46.99 -91.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 108.314 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER 44.3 99.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.292 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 42' ' ' GLU . 9.0 pt-20 45.5 -172.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.338 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.5 pttm -105.84 143.33 34.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 36' ' ' MET . 56.5 mm-40 -104.1 89.74 3.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.506 ' CD ' ' CG2' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -73.01 131.16 41.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -150.82 152.7 34.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -97.2 121.4 39.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.556 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 1.7 m-30 -107.18 114.86 29.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.452 HD21 ' CE ' ' A' ' 31' ' ' MET . 0.4 OUTLIER -105.46 110.77 23.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.567 HD22 ' CE3' ' A' ' 117' ' ' TRP . 6.7 tp -89.36 108.7 19.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.606 ' CE2' HG13 ' A' ' 57' ' ' ILE . 7.9 m-30 -90.88 4.3 52.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.479 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 1.0 OUTLIER 74.55 36.01 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.033 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.7 t -179.09 -32.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.016 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.408 HG22 ' N ' ' A' ' 56' ' ' LEU . 7.1 p -141.5 147.96 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.458 ' CD1' ' HG2' ' A' ' 58' ' ' MET . 2.7 tm? -102.98 94.17 5.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.606 HG13 ' CE2' ' A' ' 52' ' ' PHE . 14.2 mm -77.53 124.09 35.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.249 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.556 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 39.9 mtm -108.73 134.48 51.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 mp -123.55 159.37 29.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 p -139.26 127.14 22.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -101.03 95.15 6.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.82 167.95 0.25 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 56.05 4.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.765 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -179.99 116.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.419 ' O ' ' HG3' ' A' ' 65' ' ' MET . 2.1 ptm -38.89 117.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 65' ' ' MET . 3.2 t 178.95 73.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.036 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 66' ' ' SER . . . 37.05 -153.44 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -112.12 169.28 8.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 0.761 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.0 ttt -133.39 124.09 26.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -76.2 118.14 18.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -94.94 -60.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 110.274 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.48 ' O ' ' CE ' ' A' ' 58' ' ' MET . . . -156.73 160.6 30.42 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -126.87 150.73 49.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 0.724 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.475 ' HB ' ' CE ' ' A' ' 79' ' ' MET . 9.3 mt -125.33 133.46 24.87 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.02 128.64 11.63 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.476 1.777 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.465 ' O ' ' CB ' ' A' ' 79' ' ' MET . 12.1 mm -55.68 -35.21 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.38 -87.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -42.99 -26.16 0.44 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.475 ' CE ' ' HB ' ' A' ' 74' ' ' ILE . 6.2 tpp -41.94 154.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 0.73 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.4 t -144.16 108.29 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.3 t -122.35 133.14 69.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -156.8 33.26 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 42.12 39.0 1.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.422 ' CD2' ' HA ' ' A' ' 94' ' ' PHE . 1.3 mm? 67.97 84.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -113.82 9.87 17.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -78.84 -1.31 34.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -111.68 -145.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -142.18 57.5 1.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 113.28 97.6 2.29 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.19 111.41 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.973 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -126.04 117.76 23.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.254 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 17.8 t -177.74 -61.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 108.336 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -117.24 -169.35 1.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.422 ' HA ' ' CD2' ' A' ' 84' ' ' LEU . 4.3 p90 -148.98 160.34 43.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.42 ' N ' HD21 ' A' ' 84' ' ' LEU . 5.1 pt-20 -118.69 144.33 46.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 26.8 mt -114.96 95.82 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.468 ' CG2' ' HA ' ' A' ' 103' ' ' ARG . 45.9 p -107.56 175.72 5.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.453 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -176.51 38.46 0.1 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.32 -173.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 0.779 . . . . 0.0 109.983 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.7 t -102.39 41.27 1.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.365 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 1.5 p -170.01 -42.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.85 155.73 22.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.468 ' HA ' ' CG2' ' A' ' 97' ' ' THR . 32.0 ttp180 -179.78 112.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.482 ' CG2' ' HG3' ' A' ' 36' ' ' MET . 4.4 mt -106.62 131.82 55.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 47.7 t -112.99 98.41 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.484 ' CG1' ' HB ' ' A' ' 34' ' ' VAL . 3.4 t -86.92 125.85 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -77.97 165.11 24.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.608 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 30.6 p -172.58 157.68 3.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 108.284 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -108.43 16.09 23.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 64.05 85.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -135.47 -175.77 4.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -27.8 65.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.98 -57.4 9.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -52.37 -62.25 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.2 -38.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.18 -53.39 55.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.567 ' CE3' HD22 ' A' ' 51' ' ' LEU . 50.1 m95 -48.3 -43.19 32.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 107.982 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 88.2 mmm -69.9 -38.24 76.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 122' ' ' ASN . 0.0 OUTLIER -61.27 -52.38 64.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 110.253 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.512 ' O ' ' CG ' ' A' ' 123' ' ' ARG . 1.5 pt20 -66.83 -55.9 12.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.438 ' CD1' ' O ' ' A' ' 117' ' ' TRP . 7.9 mt -48.72 -25.66 1.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.3 OUTLIER -66.65 -26.72 67.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.512 ' CG ' ' O ' ' A' ' 120' ' ' GLN . 0.6 OUTLIER -104.98 -26.7 12.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.486 HD11 ' CD2' ' A' ' 51' ' ' LEU . 10.0 mt -72.68 -58.42 3.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 121' ' ' LEU . 19.6 p -68.3 -51.4 45.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 42.87 45.75 4.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 44.1 t -130.98 98.67 4.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.942 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 175.07 -175.33 47.09 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -49.47 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 179.38 -57.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.003 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.32 140.2 10.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.986 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -147.2 85.42 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.0 m -135.64 151.46 50.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.985 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.25 147.66 19.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.14 -55.55 2.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.968 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m 62.88 125.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.71 -154.77 25.72 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.421 ' C ' ' N ' ' A' ' 10' ' ' LEU . 1.7 mp0 -110.85 127.79 55.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.458 HD11 ' CE ' ' A' ' 31' ' ' MET . 3.7 tt -39.4 -32.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.456 ' HG ' ' CG2' ' A' ' 9' ' ' ILE . 0.5 OUTLIER -151.4 -62.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.1 m -157.48 -64.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.011 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -77.77 153.71 80.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -165.26 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.541 1.811 . . . . 0.0 111.039 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.455 ' CD1' ' CD2' ' A' ' 59' ' ' LEU . 4.4 mt -95.15 149.21 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -97.03 134.12 40.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 66.07 34.07 7.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 39.8 t-105 -62.61 152.23 35.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 108.023 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -157.0 177.73 11.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.03 74.57 0.41 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 49.5 -176.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 109.317 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.53 171.43 6.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.6 tt -89.39 -21.41 6.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.07 -4.21 58.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.3 p -97.94 -23.13 15.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.362 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.2 mt -69.33 -69.47 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 178.41 -123.19 0.85 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.137 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -141.8 145.99 35.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.562 HG21 ' CE1' ' A' ' 52' ' ' PHE . 85.7 t -70.55 95.38 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.492 ' CD1' ' HB3' ' A' ' 53' ' ' SER . 8.8 mt -48.31 -79.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.474 ' N ' ' CG2' ' A' ' 29' ' ' ILE . 43.2 t80 -137.42 121.47 17.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.458 ' CE ' HD11 ' A' ' 9' ' ' ILE . 1.6 ptm -114.86 146.39 41.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.5 m -161.35 154.76 21.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -74.79 104.73 5.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.463 ' HB ' ' CG1' ' A' ' 106' ' ' VAL . 10.3 m -106.88 179.16 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.434 HG22 ' CG ' ' A' ' 46' ' ' GLU . 2.2 t -133.26 115.14 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.521 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.6 tmm? -135.15 123.18 22.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.411 ' CB ' ' HB3' ' A' ' 45' ' ' GLU . 3.0 tm0? -128.61 169.81 13.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -111.82 105.53 14.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.628 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.12 -130.2 50.67 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -126.39 128.15 46.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 13.1 t -132.81 -63.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 108.295 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.424 ' C ' ' CG ' ' A' ' 43' ' ' GLU . 16.0 mt-10 -144.29 -59.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' CG ' ' C ' ' A' ' 42' ' ' GLU . 5.1 mt-10 -153.29 -178.06 6.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.35 155.52 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 36' ' ' MET . 4.7 tp10 -119.46 105.44 11.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.434 ' CG ' HG22 ' A' ' 35' ' ' VAL . 11.8 mt-10 -79.65 146.97 32.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.446 ' NH1' ' SD ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -162.72 172.77 14.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.273 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -120.33 119.54 33.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.572 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 2.1 m-30 -103.7 127.31 51.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -115.89 114.92 25.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.488 ' CD2' HD12 ' A' ' 124' ' ' LEU . 7.4 tp -90.86 113.9 26.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.594 ' CE2' HG13 ' A' ' 57' ' ' ILE . 8.5 m-30 -97.58 4.02 50.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.492 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 1.1 p 74.26 41.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.028 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 171.4 -29.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.969 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 56' ' ' LEU . 3.5 p -142.83 139.98 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.413 ' N ' HG23 ' A' ' 55' ' ' VAL . 1.7 tm? -100.99 95.79 6.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.594 HG13 ' CE2' ' A' ' 52' ' ' PHE . 8.4 mm -78.54 139.12 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.368 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.572 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 9.5 mtm -120.15 127.16 52.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 111.042 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.455 ' CD2' ' CD1' ' A' ' 14' ' ' ILE . 6.5 mp -122.72 156.37 34.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.3 p -140.14 130.43 25.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.036 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.97 106.87 15.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.471 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.1 OUTLIER 172.96 -54.72 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.019 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.3 Cg_endo -75.02 -179.02 4.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 64.25 -76.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 63' ' ' PRO . 4.2 ttp -178.69 -65.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.1 t -148.52 -173.25 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.031 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 71.07 -131.91 20.96 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -140.32 155.68 46.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.9 ttt -131.02 110.23 11.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -60.8 137.03 58.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -140.74 78.06 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 76.26 167.76 25.4 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -149.3 132.64 16.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.478 ' CD1' HD11 ' A' ' 104' ' ' ILE . 4.4 mt -102.59 113.87 65.65 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 132.18 15.18 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.479 1.778 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 21.3 mm -50.09 -41.48 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.82 121.77 7.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 84.83 -32.55 3.44 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.476 ' HE1' ' CG2' ' A' ' 74' ' ' ILE . 40.3 ttm -37.24 145.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 0.805 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.5 t -128.05 107.89 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.7 t -107.29 145.5 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 167.82 146.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 85' ' ' ASP . 12.7 ptt180 -72.89 57.02 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 mm? 57.07 -87.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 83' ' ' ARG . 5.8 t0 61.28 14.68 5.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -103.18 -5.1 23.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.524 ' N ' ' CD1' ' A' ' 87' ' ' ILE . 1.0 OUTLIER -105.48 -145.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -148.03 131.46 16.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 43.06 54.08 5.36 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.61 72.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 110.008 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -130.15 112.48 13.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.345 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 3.6 p -145.88 -50.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 108.287 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -97.75 -179.13 4.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.48 ' CD1' ' N ' ' A' ' 94' ' ' PHE . 2.9 p90 -130.21 176.64 7.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -129.0 145.01 51.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 110.264 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.1 mt -119.73 99.39 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.499 ' CG2' ' HA ' ' A' ' 103' ' ' ARG . 11.3 p -113.26 -175.02 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.389 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -139.83 -72.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.051 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.4 t -100.51 -75.85 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.754 . . . . 0.0 109.975 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.3 t 179.88 53.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.426 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.439 ' O ' ' CG2' ' A' ' 101' ' ' VAL . 2.5 p -178.77 52.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.369 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' ' 103' ' ' ARG . 0.3 OUTLIER -146.99 -70.62 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.262 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.499 ' HA ' ' CG2' ' A' ' 97' ' ' THR . 22.0 ttt180 43.03 94.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.497 ' CG2' ' HG3' ' A' ' 36' ' ' MET . 6.7 mt -103.67 106.53 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 28.7 t -82.69 98.19 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.463 ' CG1' ' HB ' ' A' ' 34' ' ' VAL . 43.2 t -91.65 115.45 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -72.28 162.83 28.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.596 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 109' ' ' ASN . 5.8 p -170.15 -47.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 108.311 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 108' ' ' CYS . 4.8 t-20 82.33 18.56 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 65.25 85.57 0.14 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -131.24 -172.62 2.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.6 -63.84 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -40.2 -52.14 2.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.575 ' CE1' ' HG3' ' A' ' 118' ' ' MET . 23.3 t80 -48.4 -59.6 3.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -38.09 -64.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.321 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.7 OUTLIER -42.28 -58.14 2.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.468 ' CZ2' ' O ' ' A' ' 30' ' ' PHE . 59.4 m95 -47.59 -47.33 28.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 108.002 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.575 ' HG3' ' CE1' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -67.57 -26.24 66.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 0.0 111.041 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -70.65 -53.43 15.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.295 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 123' ' ' ARG . 6.9 pt20 -68.58 -55.88 10.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 5.8 mt -49.5 -24.02 1.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.4 OUTLIER -69.65 -28.1 65.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 120' ' ' GLN . 2.5 ptp180 -105.68 -36.43 7.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.488 HD12 ' CD2' ' A' ' 51' ' ' LEU . 23.2 mt -56.59 -81.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 71.1 p -42.39 -43.81 3.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.364 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -39.96 -68.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 50.6 m 60.51 166.44 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 123.26 177.42 15.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 68.49 5.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.4 t -91.5 -55.38 3.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.61 93.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.015 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.6 p -129.63 118.47 22.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 0.796 . . . . 0.0 110.002 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -78.2 166.74 22.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.0 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.07 99.4 2.56 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.69 -58.06 2.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 110.047 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.1 m -101.08 169.5 8.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.49 -135.28 1.2 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.147 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 10' ' ' LEU . 40.0 mt-30 60.27 172.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.441 ' CD1' ' CE ' ' A' ' 31' ' ' MET . 24.1 mm 66.64 -72.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 8' ' ' GLN . 0.2 OUTLIER -121.16 52.26 1.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.18 -60.97 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -79.7 154.33 75.89 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 128.65 11.64 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.484 1.781 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.474 ' CG2' ' HB2' ' A' ' 70' ' ' TYR . 5.5 mt -85.17 110.95 19.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.532 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 4.4 tt0 -49.67 134.76 19.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . 86.5 -42.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.571 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 31.6 t-105 -39.54 114.4 0.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 107.989 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -155.31 137.51 14.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.078 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.72 -94.95 0.5 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -100.54 165.58 11.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -79.02 169.16 18.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.571 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 3.7 tt -92.79 -33.17 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -73.91 -7.1 51.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.7 t -87.74 -24.57 23.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.4 mt -77.49 -77.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 174.36 164.55 29.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -61.31 170.68 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.475 HG22 ' CE1' ' A' ' 52' ' ' PHE . 74.1 t -93.19 102.1 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.48 ' CD1' ' HB3' ' A' ' 53' ' ' SER . 44.1 mt -54.13 -78.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.57 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.5 OUTLIER -129.09 126.25 38.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 111.025 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.448 ' CG ' ' O ' ' A' ' 31' ' ' MET . 13.1 ptm -127.15 127.5 44.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.7 p -154.57 150.88 28.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.04 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -73.46 104.82 4.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.2 m -105.3 177.57 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 t -126.41 112.71 30.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.483 ' HG3' ' CG2' ' A' ' 104' ' ' ILE . 1.7 tmm? -133.09 123.69 26.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.457 ' HB3' ' CG ' ' A' ' 45' ' ' GLU . 4.9 pt20 -128.91 -174.47 3.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -99.54 -59.17 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.575 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -157.42 -125.5 0.85 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.78 86.46 2.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.1 m -108.6 177.03 4.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 108.258 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.24 -72.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' LYS . 12.9 mt-10 -142.95 178.57 7.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' GLU . 38.2 mttm -39.61 140.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.457 ' CG ' ' HB3' ' A' ' 37' ' ' GLN . 5.8 mm-40 -103.44 82.41 2.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -70.03 140.07 52.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 0.0 OUTLIER -154.37 174.64 14.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -119.67 118.77 31.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 111.018 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.542 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 2.1 m-30 -107.37 118.16 35.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.404 HD21 ' CE ' ' A' ' 31' ' ' MET . 1.6 mt -108.55 110.18 21.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.505 HD22 ' CZ3' ' A' ' 117' ' ' TRP . 7.0 tp -85.8 112.77 21.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.601 ' CE2' HG13 ' A' ' 57' ' ' ILE . 6.8 m-30 -94.56 4.43 53.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.48 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 1.3 p 74.4 42.5 0.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.64 -28.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.006 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.6 p -143.03 144.66 23.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.531 HD22 ' CG ' ' A' ' 49' ' ' PHE . 2.2 tm? -102.72 94.37 5.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.601 HG13 ' CE2' ' A' ' 52' ' ' PHE . 15.1 mm -77.35 130.38 36.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.542 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 32.5 mtm -112.74 121.93 46.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.409 ' CD2' HD11 ' A' ' 14' ' ' ILE . 3.7 mp -122.07 160.14 25.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 47' ' ' ARG . 22.7 t -150.25 153.9 37.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.04 98.05 5.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.68 168.35 12.8 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.974 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 69.81 5.49 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.535 1.808 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.97 -58.21 1.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 169.69 -35.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.66 -176.35 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.993 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.8 146.2 19.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 12.3 m-30 -106.48 135.15 48.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 110.983 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.0 ttt -105.62 125.59 51.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.503 ' CD1' ' CE3' ' A' ' 17' ' ' TRP . 68.8 t80 -88.18 106.64 18.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.413 ' HG2' ' NH2' ' A' ' 47' ' ' ARG . 6.8 mm-40 -80.11 -67.81 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -151.43 174.67 30.54 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -130.91 152.53 50.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 109.267 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.602 ' CG2' ' CE ' ' A' ' 79' ' ' MET . 6.3 mt -131.77 121.61 18.17 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.13 8.4 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.782 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.418 ' HA ' ' CB ' ' A' ' 79' ' ' MET . 32.0 mm -50.23 -25.56 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.73 -67.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.65 -6.7 59.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.602 ' CE ' ' CG2' ' A' ' 74' ' ' ILE . 4.5 ttm -70.72 134.87 47.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 110.984 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.1 t -124.16 109.21 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.1 t -117.27 147.49 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.0 p30 177.24 128.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 85' ' ' ASP . 0.2 OUTLIER -40.99 114.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.494 ' CD1' ' HG2' ' A' ' 95' ' ' GLU . 8.7 mp -67.66 70.81 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 83' ' ' ARG . 5.2 t0 -118.33 14.3 13.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.457 ' CD ' ' N ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -64.24 -10.85 26.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 110.288 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.538 ' N ' ' CD1' ' A' ' 87' ' ' ILE . 0.9 OUTLIER -95.43 -146.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -103.93 46.6 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . 96.34 -83.51 0.81 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.123 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.8 t 66.59 -74.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 110.025 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 89' ' ' GLY . 12.7 t0 -179.75 164.82 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.6 m -55.6 -100.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 108.27 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 84.8 mtp 51.23 175.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.559 ' CE1' ' HB ' ' A' ' 106' ' ' VAL . 3.1 p90 -162.4 174.37 12.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.494 ' HG2' ' CD1' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -128.01 155.15 44.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.402 ' O ' ' HB ' ' A' ' 104' ' ' ILE . 16.2 mt -128.22 91.9 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.373 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.463 ' CG2' ' OE2' ' A' ' 95' ' ' GLU . 15.7 p -102.7 -175.44 2.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.435 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 111.72 98.46 2.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.8 p 179.55 -59.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.405 HG22 ' CG1' ' A' ' 101' ' ' VAL . 11.5 t -167.17 -48.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.362 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.405 ' CG1' HG22 ' A' ' 100' ' ' THR . 2.5 p -179.14 57.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -141.46 142.97 33.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 -123.2 132.84 54.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.483 ' CG2' ' HG3' ' A' ' 36' ' ' MET . 9.2 mt -105.99 116.97 50.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.9 t -98.05 98.01 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.559 ' HB ' ' CE1' ' A' ' 94' ' ' PHE . 17.1 t -82.72 109.15 16.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.231 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.4 ' O ' ' SG ' ' A' ' 108' ' ' CYS . 4.4 m-70 -70.11 147.1 50.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.599 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 107' ' ' HIS . 0.8 OUTLIER 167.51 88.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 108.274 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 -40.23 -54.61 2.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.7 t30 173.02 156.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 114' ' ' PHE . 0.7 OUTLIER 167.12 142.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 0.0 109.254 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -42.98 -30.64 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.77 -50.0 66.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.476 ' CE2' ' HG3' ' A' ' 118' ' ' MET . 52.5 t80 -53.25 -48.86 67.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -45.37 -54.26 7.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 119' ' ' GLU . 1.5 tt0 -49.57 -58.06 5.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.57 ' CZ2' ' O ' ' A' ' 30' ' ' PHE . 61.1 m95 -44.55 -50.81 9.42 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.476 ' HG3' ' CE2' ' A' ' 114' ' ' PHE . 89.2 mmm -67.54 -29.0 68.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -71.83 -51.54 21.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.459 ' O ' ' CG ' ' A' ' 123' ' ' ARG . 9.1 pt20 -67.62 -56.49 9.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.332 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.41 ' N ' ' CG ' ' A' ' 120' ' ' GLN . 7.9 mt -50.05 -23.88 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 118' ' ' MET . 0.3 OUTLIER -70.14 -30.12 67.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.459 ' CG ' ' O ' ' A' ' 120' ' ' GLN . 12.2 ptm180 -102.98 -38.35 7.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.477 HD13 ' CD2' ' A' ' 51' ' ' LEU . 18.9 mt -53.5 -74.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 69.9 p -46.07 -57.87 4.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.418 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -169.86 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 44.2 t -134.42 94.51 3.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 110.012 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -54.62 153.87 9.87 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.532 1.145 . . . . 0.0 111.04 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 131.46 14.32 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.444 1.76 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.51 88.66 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.8 t -94.01 -58.63 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.112 . . . . 0.0 110.975 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 m -72.42 160.58 32.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 109.991 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.63 164.91 4.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.85 64.5 0.52 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.461 1.101 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.86 101.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 0.801 . . . . 0.0 109.999 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 p -139.55 159.76 41.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.981 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.62 118.18 0.6 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -117.31 -179.06 3.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.783 . . . . 0.0 110.307 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.473 HD12 ' CE ' ' A' ' 31' ' ' MET . 13.5 mm -69.64 152.03 9.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.449 ' N ' HG23 ' A' ' 9' ' ' ILE . 3.7 pp -40.39 -56.66 1.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER 166.35 -66.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.985 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.429 ' N ' HD13 ' A' ' 10' ' ' LEU . 7.1 mt-10 -43.81 166.36 0.11 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 147.02 33.65 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.507 1.793 . . . . 0.0 111.061 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.464 HD11 ' CD2' ' A' ' 59' ' ' LEU . 9.3 mt -71.68 132.83 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -67.41 153.16 44.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 50.84 51.66 16.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.566 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 68.5 t-105 -99.92 137.45 38.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 108.002 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -141.65 138.74 32.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.259 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 145.66 -117.04 0.94 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.39 -50.7 1.0 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.446 ' O ' ' CG2' ' A' ' 24' ' ' THR . 0.2 OUTLIER -173.47 143.31 1.04 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.362 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.566 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 9.9 tt -74.44 -15.12 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -92.65 -6.58 49.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.446 ' CG2' ' O ' ' A' ' 21' ' ' ASP . 4.3 t -88.26 -24.81 23.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.406 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.4 ' N ' HG23 ' A' ' 24' ' ' THR . 82.5 mt -73.85 -81.85 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.01 162.79 28.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -60.43 167.44 2.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 31' ' ' MET . 64.9 t -94.24 102.07 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 53' ' ' SER . 13.7 mt -55.62 -78.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.598 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.5 OUTLIER -121.07 121.68 38.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.483 ' HB2' ' CG1' ' A' ' 28' ' ' VAL . 11.9 ttm -125.51 127.94 47.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.39 172.17 17.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -85.91 106.64 17.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.429 ' HB ' ' CG1' ' A' ' 106' ' ' VAL . 4.2 m -106.14 176.65 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 t -131.86 118.85 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.501 ' HG3' ' CG2' ' A' ' 104' ' ' ILE . 1.2 tmm? -138.83 119.31 13.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -112.72 149.27 33.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.343 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -79.02 -68.45 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.586 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -136.25 -124.52 2.38 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.473 1.108 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -111.28 112.31 23.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 0.8 . . . . 0.0 109.252 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.7 t -126.8 -74.11 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 108.315 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.416 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 0.6 OUTLIER -137.17 -79.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.261 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.416 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 5.1 mm-40 -138.78 -169.67 2.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -47.35 147.48 1.6 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 36' ' ' MET . 17.6 tt0 -111.11 98.68 7.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -82.39 130.15 35.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 110.249 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.514 ' NE ' ' HG ' ' A' ' 60' ' ' SER . 0.1 OUTLIER -147.96 178.93 8.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 110.315 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -117.56 134.46 54.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.574 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 1.6 m-30 -120.58 125.32 47.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.448 ' CD1' HD22 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -115.25 112.57 22.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.573 HD22 ' CE3' ' A' ' 117' ' ' TRP . 6.3 tp -87.22 113.56 23.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.584 ' CE2' HG13 ' A' ' 57' ' ' ILE . 6.3 m-30 -99.75 5.86 45.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.481 ' HB2' ' CD1' ' A' ' 29' ' ' ILE . 48.2 t 68.5 40.5 1.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.955 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 t 178.71 -30.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.034 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.3 p -148.41 146.63 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.561 HD13 ' CZ ' ' A' ' 49' ' ' PHE . 3.1 tm? -99.75 93.75 5.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.584 HG13 ' CE2' ' A' ' 52' ' ' PHE . 26.2 mm -75.71 129.27 37.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.574 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 18.5 mtm -113.11 133.61 54.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.464 ' CD2' HD11 ' A' ' 14' ' ' ILE . 5.9 mp -122.39 159.17 28.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.514 ' HG ' ' NE ' ' A' ' 47' ' ' ARG . 3.7 m -141.37 133.84 28.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.74 -173.71 2.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.47 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.1 OUTLIER 173.23 -55.13 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.4 Cg_endo -75.0 -174.36 1.91 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.4 ' O ' ' CG ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -133.48 67.8 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.29 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.9 ptm 173.06 -35.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.01 158.04 25.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.984 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.72 -118.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -127.2 170.65 12.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.746 . . . . 0.0 111.051 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.0 ttt -127.4 115.96 19.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.469 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 2.7 t80 -67.49 140.92 57.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -144.0 95.11 2.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.277 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 61.66 163.97 0.28 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.3 pttt -149.78 125.49 10.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.486 ' HB ' ' CE ' ' A' ' 79' ' ' MET . 7.9 mt -98.92 121.81 54.7 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 127.45 10.67 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.48 ' HA ' ' CB ' ' A' ' 79' ' ' MET . 16.2 mm -56.98 -24.39 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.9 -67.64 0.25 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -88.03 24.47 11.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.486 ' CE ' ' HB ' ' A' ' 74' ' ' ILE . 35.9 ttm -90.71 131.56 36.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 41.5 t -113.7 108.11 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.0 t -102.36 149.95 6.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -179.54 146.48 0.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -85.77 47.56 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.277 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 83' ' ' ARG . 4.0 mm? 40.24 67.49 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -82.18 4.29 23.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -69.53 -6.79 33.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.58 -145.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.357 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -154.01 117.18 4.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.47 62.05 6.41 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 110.97 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.7 m -157.96 96.34 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 110.014 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -126.12 104.98 8.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -176.45 37.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 108.274 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.7 ptm 172.9 176.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.506 ' CE1' ' HB ' ' A' ' 106' ' ' VAL . 2.2 p90 -160.06 164.86 32.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -124.75 132.13 53.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.259 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 76.7 mt -102.63 96.69 4.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.513 ' CG2' ' HA ' ' A' ' 103' ' ' ARG . 49.0 p -105.87 -175.57 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.414 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -148.26 -47.14 0.03 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.89 44.96 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 0.796 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.424 ' C ' HG23 ' A' ' 101' ' ' VAL . 41.4 p 45.63 41.92 7.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.411 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.424 HG23 ' C ' ' A' ' 100' ' ' THR . 58.8 t -142.09 -45.82 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 103' ' ' ARG . 4.4 tp10 -61.16 -65.27 0.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.513 ' HA ' ' CG2' ' A' ' 97' ' ' THR . 11.9 ttt180 49.04 99.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.501 ' CG2' ' HG3' ' A' ' 36' ' ' MET . 6.2 mt -112.08 109.82 29.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 40.7 t -90.27 97.84 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.506 ' HB ' ' CE1' ' A' ' 94' ' ' PHE . 20.8 t -84.36 137.81 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -108.36 164.93 11.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.577 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 176.47 133.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 108.251 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -100.22 -43.46 6.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.435 ' O ' ' CB ' ' A' ' 111' ' ' ASN . 9.1 m-80 -43.68 -48.14 7.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 110' ' ' ASN . 1.6 t30 77.14 -57.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.43 -47.39 1.8 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 2.4 m-20 -67.59 -58.74 4.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 117' ' ' TRP . 6.0 t80 -45.7 -54.87 7.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -38.75 -38.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.58 -50.38 45.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.598 ' CZ2' ' O ' ' A' ' 30' ' ' PHE . 42.1 m95 -44.97 -44.09 9.57 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 87.7 mmm -63.36 -41.0 98.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -68.33 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.341 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.405 ' O ' ' HG ' ' A' ' 124' ' ' LEU . 0.8 OUTLIER -49.1 -57.55 6.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.317 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 117' ' ' TRP . 8.3 mt -45.61 -52.73 10.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -42.45 -28.63 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.408 ' N ' ' C ' ' A' ' 121' ' ' LEU . 29.8 ttt180 -95.83 -59.52 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.476 HD12 ' CD2' ' A' ' 51' ' ' LEU . 8.2 mt -43.07 -70.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 43.0 p -57.11 -49.84 74.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.1 mttm 62.84 82.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.51 141.46 28.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 50.98 -149.93 6.72 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.147 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -40.2 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.2 t 46.57 88.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.041 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.38 168.97 14.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.016 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 0.0 111.035 179.969 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.58 -74.33 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 110.017 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 m -130.67 152.62 49.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.999 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.26 117.48 0.46 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.454 1.097 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.22 -54.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 0.728 . . . . 0.0 109.997 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.05 -53.94 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.961 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.64 66.01 0.46 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.445 1.091 . . . . 0.0 111.037 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.422 ' C ' ' N ' ' A' ' 10' ' ' LEU . 2.1 mt-30 -127.52 -60.69 1.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.566 HD12 ' CE2' ' A' ' 68' ' ' PHE . 2.6 tt -41.64 -28.88 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.422 ' N ' ' C ' ' A' ' 8' ' ' GLN . 0.3 OUTLIER -113.42 54.3 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 8' ' ' GLN . 0.5 OUTLIER -145.66 -51.15 0.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.961 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -110.83 160.81 27.4 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 164.34 33.57 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.458 ' CD1' ' CD2' ' A' ' 59' ' ' LEU . 4.6 mt -84.76 151.15 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.461 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 12.1 tt0 -92.22 129.86 38.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . 80.65 23.32 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.608 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 60.8 t-105 -79.16 115.34 18.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 108.026 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -127.09 126.64 43.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.35 -153.77 17.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -65.24 -161.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 0.765 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -82.86 175.56 9.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.608 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 5.0 tt -97.18 -23.35 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -91.92 -2.85 56.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.8 t -94.24 -22.52 18.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.444 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 45.7 mt -67.1 -80.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.76 45.78 0.21 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.563 1.164 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.604 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER 44.37 -166.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.577 HG22 ' CE1' ' A' ' 52' ' ' PHE . 65.4 t -116.98 116.9 53.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.495 ' CD1' ' HB2' ' A' ' 53' ' ' SER . 21.1 mt -78.17 -73.98 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 113' ' ' ASP . 0.3 OUTLIER -126.75 121.79 32.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.473 ' HE3' ' CD1' ' A' ' 9' ' ' ILE . 5.5 ptm -128.04 133.48 49.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 111.045 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.37 168.17 24.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -86.39 106.33 17.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.427 ' HB ' ' CG1' ' A' ' 106' ' ' VAL . 21.7 m -108.05 171.24 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.573 HG11 ' CD2' ' A' ' 107' ' ' HIS . 0.9 OUTLIER -121.3 109.88 26.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.453 ' HE3' ' CZ ' ' A' ' 49' ' ' PHE . 1.3 tmm? -133.46 119.53 19.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.47 147.59 50.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -42.96 -64.2 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.549 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -168.81 -81.09 0.05 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -126.55 86.95 2.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 0.789 . . . . 0.0 109.28 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 58.2 m -106.52 -72.98 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 108.275 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -143.66 -67.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -148.91 175.29 11.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -42.03 136.83 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 36' ' ' MET . 19.8 tt0 -107.3 99.86 9.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -78.34 136.61 37.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.9 166.93 31.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.22 137.61 46.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.453 ' CZ ' ' HE3' ' A' ' 36' ' ' MET . 1.7 m-30 -122.03 118.93 29.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.26 110.07 21.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.488 ' CD2' HD12 ' A' ' 124' ' ' LEU . 9.9 tp -86.83 114.44 23.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.615 ' CE2' HG13 ' A' ' 57' ' ' ILE . 7.9 m-30 -100.73 9.34 42.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.495 ' HB2' ' CD1' ' A' ' 29' ' ' ILE . 4.2 t 65.71 42.61 3.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.418 ' N ' HG13 ' A' ' 76' ' ' ILE . 0.3 OUTLIER 175.81 -30.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.482 ' CG2' ' HD3' ' A' ' 73' ' ' LYS . 9.6 p -146.08 149.0 16.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.473 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 2.5 tm? -105.15 92.66 4.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.615 HG13 ' CE2' ' A' ' 52' ' ' PHE . 12.0 mm -76.61 128.66 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.435 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 11.6 mtm -108.47 132.55 53.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 68' ' ' PHE . 8.2 mp -126.59 158.75 35.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.0 m -142.8 148.44 37.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.09 87.06 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.475 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -79.67 -53.56 1.0 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.984 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 62' ' ' SER . 18.3 Cg_endo -74.97 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.41 175.78 1.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.1 ttp -60.57 161.41 7.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.9 t 76.66 103.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.958 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.51 137.44 7.55 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.504 1.128 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.566 ' CE2' HD12 ' A' ' 9' ' ' ILE . 13.9 m-85 -127.75 169.92 13.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 16.5 ttt -132.18 119.02 20.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.498 ' OH ' ' CG ' ' A' ' 73' ' ' LYS . 72.2 t80 -62.98 141.64 58.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -137.54 66.31 1.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.345 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.81 171.38 19.47 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.498 ' CG ' ' OH ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -143.22 164.62 29.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.761 . . . . 0.0 109.325 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.485 HD12 ' CD1' ' A' ' 104' ' ' ILE . 7.7 mt -135.14 130.04 19.16 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.98 136.09 19.97 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.418 HG13 ' N ' ' A' ' 54' ' ' SER . 15.9 mm -61.09 -21.6 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.57 -81.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.2 -20.34 4.72 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.482 ' CE ' ' HB ' ' A' ' 74' ' ' ILE . 5.2 tpp -46.63 153.94 0.34 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 0.753 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.2 t -142.8 105.04 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.2 t -111.08 140.78 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -178.08 129.93 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 85' ' ' ASP . 0.2 OUTLIER -42.13 118.3 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.469 ' CD2' ' HG2' ' A' ' 95' ' ' GLU . 13.1 mt -69.44 62.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 83' ' ' ARG . 4.3 t0 -93.44 11.74 27.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -67.74 -8.69 37.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.326 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.511 ' N ' ' CD1' ' A' ' 87' ' ' ILE . 0.9 OUTLIER -95.77 -145.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -170.7 125.61 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 44.88 75.89 0.15 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 t -158.47 -61.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 0.795 . . . . 0.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 92' ' ' CYS . 5.0 t0 174.58 157.82 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.246 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.443 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 58.5 m -71.86 -81.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 108.312 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.81 175.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.415 ' CD1' ' HE1' ' A' ' 114' ' ' PHE . 4.1 p90 -152.35 155.22 37.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.469 ' HG2' ' CD2' ' A' ' 84' ' ' LEU . 0.1 OUTLIER -112.22 156.4 22.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.1 mt -127.93 91.34 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.404 ' CG2' ' HG3' ' A' ' 103' ' ' ARG . 32.2 p -111.22 -176.02 2.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 99' ' ' SER . . . 131.94 -47.06 1.03 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.434 1.084 . . . . 0.0 111.032 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 98' ' ' GLY . 1.1 t -39.31 -63.41 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.751 . . . . 0.0 109.983 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 52.5 m -152.75 -71.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 102' ' ' GLU . 43.4 t -141.72 -45.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 101' ' ' VAL . 2.1 tt0 -37.46 136.3 0.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.44 ' NE ' ' OE1' ' A' ' 95' ' ' GLU . 19.4 ttm105 -112.89 121.11 43.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.485 ' CD1' HD12 ' A' ' 74' ' ' ILE . 4.8 mt -85.01 106.12 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.406 1.066 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 41.9 t -96.58 98.26 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.427 ' CG1' ' HB ' ' A' ' 34' ' ' VAL . 8.0 t -83.6 117.66 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.573 ' CD2' HG11 ' A' ' 35' ' ' VAL . 2.2 m-70 -70.1 141.07 52.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.612 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.449 ' CB ' ' O ' ' A' ' 107' ' ' HIS . 0.6 OUTLIER 163.55 101.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.138 . . . . 0.0 108.26 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -50.22 -54.4 21.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.416 ' O ' ' O ' ' A' ' 111' ' ' ASN . 58.0 t30 -163.06 -66.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.416 ' O ' ' O ' ' A' ' 110' ' ' ASN . 4.3 m120 49.08 -177.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -97.84 -45.23 6.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 4.0 m-20 -45.73 -64.38 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.479 ' CE1' ' HG3' ' A' ' 118' ' ' MET . 14.0 t80 -41.49 -52.86 3.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -37.86 -41.68 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.334 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -67.74 -48.19 67.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.509 ' CZ2' ' O ' ' A' ' 30' ' ' PHE . 51.1 m95 -45.82 -48.14 15.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 108.025 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.479 ' HG3' ' CE1' ' A' ' 114' ' ' PHE . 2.5 mtp -67.18 -29.0 68.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 116' ' ' GLU . 2.4 tt0 -70.59 -51.69 26.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.512 ' O ' ' CG ' ' A' ' 123' ' ' ARG . 10.7 pt20 -68.79 -55.53 10.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.423 ' O ' ' OG1' ' A' ' 125' ' ' THR . 4.9 mt -48.91 -24.83 1.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.3 OUTLIER -67.0 -26.54 66.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.512 ' CG ' ' O ' ' A' ' 120' ' ' GLN . 15.2 ptt180 -105.29 -27.85 11.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.488 HD12 ' CD2' ' A' ' 51' ' ' LEU . 10.3 mt -70.32 -65.93 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 121' ' ' LEU . 29.0 p -61.08 -57.04 14.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.443 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.8 65.72 8.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.86 -63.97 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -51.23 -178.7 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -44.92 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 18.6 t -146.3 -57.11 0.29 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.013 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 52.6 p -100.46 167.3 10.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.524 1.14 . . . . 0.0 111.022 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 m -136.2 -58.72 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 0.753 . . . . 0.0 109.981 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.0 t -53.74 -60.48 3.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.7 -149.8 5.14 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.46 1.1 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -160.11 81.44 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 0.737 . . . . 0.0 110.027 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.35 126.46 54.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.35 -110.22 3.73 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.11 137.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 110.324 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.442 HD13 ' CE ' ' A' ' 31' ' ' MET . 28.5 mm -71.02 -100.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.422 ' HG ' ' CG2' ' A' ' 9' ' ' ILE . 0.4 OUTLIER -138.61 -61.53 0.58 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.74 -73.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -42.89 157.26 0.24 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.259 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 156.44 42.83 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.45 1.763 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.475 HD11 ' CD2' ' A' ' 59' ' ' LEU . 6.9 mt -70.18 130.95 34.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -72.27 148.2 45.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 73.44 5.09 4.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.591 ' CH2' ' CD1' ' A' ' 22' ' ' ILE . 63.1 t-105 -72.46 127.23 31.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 107.983 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -131.16 176.09 8.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.11 -126.72 7.83 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.523 1.14 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -107.48 -177.04 3.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 0.754 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -59.86 160.45 7.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.591 ' CD1' ' CH2' ' A' ' 17' ' ' TRP . 6.6 tt -82.01 -27.32 9.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.418 ' N ' HG21 ' A' ' 22' ' ' ILE . 2.6 mmmt -60.94 -15.18 28.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.4 p -74.48 -30.65 61.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.452 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.1 mt -75.62 -56.03 5.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 155.43 -128.84 2.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.562 1.164 . . . . 0.0 110.975 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.494 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 43.9 p-10 -123.44 -161.79 1.0 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 0.751 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.543 HG22 ' CE1' ' A' ' 52' ' ' PHE . 92.5 t -117.23 104.3 16.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 53' ' ' SER . 30.8 mt -59.94 -75.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.477 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.3 OUTLIER -124.74 120.55 32.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.962 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.442 ' CE ' HD13 ' A' ' 9' ' ' ILE . 21.6 ttm -121.5 127.45 51.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.89 168.77 25.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -86.57 105.51 16.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 m -105.02 179.2 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 t -137.5 117.31 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.503 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.6 tmm? -137.94 121.9 17.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.432 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 1.5 tp60 -126.11 145.93 50.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.405 ' CD2' ' C ' ' A' ' 38' ' ' HIS . 0.6 OUTLIER -46.5 -64.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.6 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.75 -129.18 1.11 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.46 1.1 . . . . 0.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.62 94.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 72.3 m -133.79 172.78 12.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 108.307 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.433 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 10.9 mt-10 -39.67 -73.73 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.113 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.433 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 3.8 mm-40 -134.9 -168.39 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 pttp -67.89 157.62 34.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 36' ' ' MET . 4.9 tp10 -114.48 109.17 17.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.42 132.66 34.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.259 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -152.67 170.38 20.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.62 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -109.87 134.18 52.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.557 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 1.9 m-30 -118.92 121.76 40.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.06 109.35 19.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.572 HD23 ' CZ3' ' A' ' 117' ' ' TRP . 8.7 tp -86.87 112.51 21.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.608 ' CE2' HG13 ' A' ' 57' ' ' ILE . 8.0 m-30 -96.44 -5.34 39.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER 84.06 -13.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.18 -2.92 6.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.958 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.434 HG21 ' N ' ' A' ' 56' ' ' LEU . 7.5 p -176.23 150.15 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.492 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 1.6 tm? -104.81 94.33 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.608 HG13 ' CE2' ' A' ' 52' ' ' PHE . 7.6 mm -77.4 138.08 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.557 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 27.7 mtm -120.57 133.57 55.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.539 ' HB3' ' CD1' ' A' ' 68' ' ' PHE . 6.9 mp -122.24 155.89 34.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.3 p -148.73 127.72 12.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.97 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.77 95.99 8.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.471 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -78.93 -54.49 1.04 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.005 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.2 Cg_endo -75.0 -20.27 17.02 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.22 89.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.433 ' CE ' ' HA ' ' A' ' 65' ' ' MET . 2.6 tpt -178.98 167.76 1.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.6 m -39.74 119.15 0.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.004 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.51 170.66 18.19 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.62 ' CZ ' ' CD2' ' A' ' 48' ' ' TYR . 5.9 m-85 -134.23 173.81 11.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 0.79 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 23.6 ttt -129.85 108.76 10.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.46 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 33.2 t80 -57.8 144.31 38.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -154.36 103.39 2.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.269 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.84 156.84 0.02 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -144.34 134.38 24.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.783 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.477 ' CD1' HD11 ' A' ' 104' ' ' ILE . 2.0 mt -106.64 114.21 62.14 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 133.27 16.31 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.466 1.772 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.429 HG12 ' N ' ' A' ' 55' ' ' VAL . 42.2 mm -47.46 -34.38 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.81 132.46 46.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.65 -3.75 40.59 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.471 ' HE3' ' CG2' ' A' ' 74' ' ' ILE . 19.9 ttm -63.75 140.67 58.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 0.783 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.5 t -120.7 107.93 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.234 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.2 t -130.32 152.65 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.5 p30 175.04 175.73 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.462 ' CD ' ' O ' ' A' ' 89' ' ' GLY . 0.1 OUTLIER -78.14 -0.03 26.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.401 HD22 ' CG ' ' A' ' 95' ' ' GLU . 83.7 mt 68.95 8.21 6.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -111.25 -22.12 11.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 75.32 -2.48 2.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 7.5 mm -81.86 -132.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -150.51 31.68 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.462 ' O ' ' CD ' ' A' ' 83' ' ' ARG . . . 176.49 -118.14 0.63 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.105 . . . . 0.0 110.99 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 42.56 59.73 2.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 0.742 . . . . 0.0 109.979 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -40.26 147.58 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 26.5 t -178.7 -71.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.351 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -173.59 176.93 2.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.544 ' CE1' ' HB ' ' A' ' 106' ' ' VAL . 6.2 p90 -146.92 158.38 43.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.486 ' OE1' ' CD ' ' A' ' 103' ' ' ARG . 19.1 pt-20 -118.51 167.39 11.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.302 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.8 mt -135.32 98.78 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 39.3 p -125.43 -175.51 3.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.402 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 124.05 135.34 4.46 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.8 t 70.49 -68.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 110.03 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.8 p -64.37 -142.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.2 p -144.55 -46.36 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.37 134.78 53.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.486 ' CD ' ' OE1' ' A' ' 95' ' ' GLU . 38.0 ttp180 -95.05 127.44 41.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.477 HD11 ' CD1' ' A' ' 74' ' ' ILE . 1.5 mt -91.42 106.77 17.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 25.2 t -95.83 97.55 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.544 ' HB ' ' CE1' ' A' ' 94' ' ' PHE . 11.2 t -82.71 120.12 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -71.41 163.05 28.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.576 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.566 ' CB ' ' CD1' ' A' ' 114' ' ' PHE . 13.9 p -153.71 160.76 42.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 108.31 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -121.03 16.16 11.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.5 m120 61.8 90.1 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -157.61 175.8 13.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -33.0 68.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.32 -51.38 67.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.566 ' CD1' ' CB ' ' A' ' 108' ' ' CYS . 55.2 t80 -51.37 -55.51 18.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.585 1.178 . . . . 0.0 111.045 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.06 -51.19 64.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.343 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.92 -61.41 1.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.13 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.572 ' CZ3' HD23 ' A' ' 51' ' ' LEU . 47.5 m95 -42.78 -52.82 4.86 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 93.5 mmm -61.56 -42.43 98.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -61.95 1.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 123' ' ' ARG . 10.7 pt20 -60.15 -55.55 32.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.4 ' O ' ' OG1' ' A' ' 125' ' ' THR . 6.5 mt -45.26 -30.21 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.16 -40.59 78.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 120' ' ' GLN . 1.5 ptm180 -83.48 -30.42 27.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.505 HD11 ' CD2' ' A' ' 51' ' ' LEU . 9.0 mt -67.4 -72.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 121' ' ' LEU . 47.9 p -57.15 -61.42 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.373 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -93.01 -162.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.68 141.55 1.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -114.27 -159.93 13.12 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 147.77 34.31 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.53 1.805 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 52.4 p -88.21 147.76 24.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.963 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 80.3 p -57.55 140.07 51.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 t -178.53 102.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.009 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 m 61.32 156.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.009 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.79 -96.82 0.41 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.11 89.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.56 137.33 38.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.0 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.11 -130.93 4.5 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.137 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 11' ' ' SER . 38.3 mm-40 -131.49 -56.71 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.494 HD13 ' CD2' ' A' ' 68' ' ' PHE . 3.3 tt -45.59 -27.11 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.406 ' N ' ' C ' ' A' ' 8' ' ' GLN . 0.5 OUTLIER -120.96 42.87 2.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 8' ' ' GLN . 2.5 m -163.63 -57.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.996 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -96.83 160.3 29.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 160.0 40.55 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.446 HD12 ' CD2' ' A' ' 59' ' ' LEU . 16.1 mt -83.86 139.84 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.425 ' N ' HG23 ' A' ' 14' ' ' ILE . 1.2 tt0 -77.32 138.25 39.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 63.29 42.49 6.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.532 ' CZ2' HD12 ' A' ' 22' ' ' ILE . 73.8 t-105 -101.76 105.69 16.6 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -111.78 155.78 23.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 110.319 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.52 -84.69 0.25 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.533 1.146 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.35 -64.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.747 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.447 ' HB2' ' CG2' ' A' ' 24' ' ' THR . 0.7 OUTLIER -154.39 151.82 29.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.532 HD12 ' CZ2' ' A' ' 17' ' ' TRP . 7.7 tt -84.65 -25.6 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.74 -15.0 63.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.447 ' CG2' ' HB2' ' A' ' 21' ' ' ASP . 41.0 p -69.84 -33.45 72.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.2 mt -73.64 -74.98 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 174.48 -133.88 2.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -117.37 179.09 4.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.478 HG23 ' CE1' ' A' ' 52' ' ' PHE . 80.2 t -101.85 101.54 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.486 ' CD1' ' HB2' ' A' ' 53' ' ' SER . 42.3 mt -59.67 -78.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.479 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.8 OUTLIER -120.08 119.91 34.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.461 ' CE ' HD23 ' A' ' 50' ' ' LEU . 32.7 ttm -121.6 114.97 21.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.12 166.77 25.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -88.66 106.92 18.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.456 ' HB ' ' CG1' ' A' ' 106' ' ' VAL . 16.3 m -105.32 176.37 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.48 ' CG2' ' HG3' ' A' ' 46' ' ' GLU . 2.5 t -124.78 117.48 50.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.499 ' HG3' ' CG2' ' A' ' 104' ' ' ILE . 1.1 tmm? -139.4 120.83 15.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -122.94 171.76 8.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.39 179.02 4.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.583 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.8 91.85 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 111.04 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 62.76 145.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.324 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.6 t -173.3 -59.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 108.305 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -174.32 -82.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 110.245 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -139.98 -178.87 5.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.447 ' HZ1' ' CE1' ' A' ' 107' ' ' HIS . 12.1 mmtt -39.44 136.73 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 36' ' ' MET . 24.6 tt0 -112.68 92.59 4.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.48 ' HG3' ' CG2' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -70.39 147.55 49.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.86 177.91 8.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -119.8 131.24 55.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.578 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 1.9 m-30 -119.26 114.15 21.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.461 HD23 ' CE ' ' A' ' 31' ' ' MET . 0.8 OUTLIER -102.45 112.48 25.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.582 HD22 ' CZ3' ' A' ' 117' ' ' TRP . 6.6 tp -84.97 113.75 21.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.606 ' CE2' HG13 ' A' ' 57' ' ' ILE . 6.4 m-30 -101.74 6.29 41.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.488 ' HA ' ' CD1' ' A' ' 124' ' ' LEU . 8.4 t 65.61 50.56 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.024 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.6 OUTLIER 161.37 -22.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.425 HG22 ' N ' ' A' ' 56' ' ' LEU . 2.8 p -151.71 140.05 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.513 HD23 ' CG ' ' A' ' 49' ' ' PHE . 2.3 tm? -101.84 95.01 6.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.606 HG13 ' CE2' ' A' ' 52' ' ' PHE . 14.1 mm -75.9 126.27 36.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.578 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 39.5 mtm -109.48 137.04 47.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.446 ' CD2' HD12 ' A' ' 14' ' ' ILE . 4.3 mp -127.39 161.87 27.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.6 p -135.41 132.88 38.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.28 157.51 33.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.492 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.1 OUTLIER 176.21 -55.82 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.968 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.492 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.3 Cg_endo -75.02 118.84 5.41 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.454 1.766 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -78.98 84.68 4.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.7 ttp -176.83 -57.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.9 t -87.88 161.92 17.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.78 -110.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.494 ' CD2' HD13 ' A' ' 9' ' ' ILE . 14.1 m-85 -124.25 157.85 33.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 111.046 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.5 ttt -114.93 130.66 56.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -90.28 128.79 36.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -104.24 -61.16 1.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -155.6 170.1 33.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -137.33 133.99 35.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.754 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.502 ' CG2' ' HE2' ' A' ' 79' ' ' MET . 4.0 mt -104.61 120.96 48.66 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 124.9 9.0 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.455 1.766 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 21.3 mm -42.75 -35.94 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.86 121.73 9.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.1 -17.48 17.36 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.502 ' HE2' ' CG2' ' A' ' 74' ' ' ILE . 33.1 ttm -56.79 120.56 8.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.773 . . . . 0.0 110.949 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.6 t -105.1 106.89 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.472 HG21 ' CD2' ' A' ' 121' ' ' LEU . 7.2 t -111.67 150.03 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 30.0 p30 171.62 170.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 84' ' ' LEU . 11.5 ptt-85 -89.39 37.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 83' ' ' ARG . 1.0 OUTLIER 38.92 81.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -96.24 10.27 38.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -93.25 -3.05 54.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.351 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.432 ' N ' ' CD1' ' A' ' 87' ' ' ILE . 1.3 mm -104.17 -145.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -139.28 48.19 1.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.26 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.09 -101.65 0.2 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 38.97 80.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.77 153.6 20.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 8.6 m 43.77 63.58 1.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 108.334 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 21.9 ptm -179.79 149.85 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -150.73 159.37 44.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.468 ' HB2' ' CG ' ' A' ' 103' ' ' ARG . 6.3 pt-20 -104.19 155.31 18.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.1 mt -128.29 93.62 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.353 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.8 p -109.25 -174.92 2.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.411 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 125.14 84.97 0.59 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.66 -66.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 0.791 . . . . 0.0 109.96 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.482 ' O ' ' CG2' ' A' ' 101' ' ' VAL . 2.7 m -159.83 -63.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.392 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 100' ' ' THR . 97.1 t -156.64 57.7 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.416 ' HG2' ' N ' ' A' ' 103' ' ' ARG . 8.1 tt0 -129.77 142.34 50.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.468 ' CG ' ' HB2' ' A' ' 95' ' ' GLU . 54.3 ttp180 -135.06 117.85 16.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.499 ' CG2' ' HG3' ' A' ' 36' ' ' MET . 10.6 mt -95.45 104.54 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 36.9 t -82.89 97.86 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.456 ' CG1' ' HB ' ' A' ' 34' ' ' VAL . 40.1 t -88.06 114.34 26.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.447 ' CE1' ' HZ1' ' A' ' 44' ' ' LYS . 10.7 m-70 -81.5 127.47 32.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.566 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 92.7 m -115.98 164.53 14.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 0.0 108.352 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -138.08 -49.04 0.55 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.53 161.43 27.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -102.95 -55.55 2.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -54.01 -56.63 16.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.11 -57.17 13.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -47.24 -52.87 14.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -47.04 -56.73 5.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -45.71 -59.82 2.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.582 ' CZ3' HD22 ' A' ' 51' ' ' LEU . 46.9 m95 -43.12 -54.76 4.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.027 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 94.6 mmm -57.18 -42.33 80.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -56.95 -69.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 123' ' ' ARG . 1.8 pt20 -51.35 -56.55 12.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.472 ' CD2' HG21 ' A' ' 81' ' ' VAL . 5.9 mt -42.87 -53.7 4.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -45.68 -42.2 11.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 120' ' ' GLN . 6.6 ttm180 -73.45 -59.06 2.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.506 HD12 ' CD2' ' A' ' 51' ' ' LEU . 8.2 mt -46.86 -77.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 82.1 p -42.45 -69.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.387 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -66.49 -154.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 87.4 p -51.98 124.25 12.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.034 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -104.45 -139.86 10.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 138.12 22.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.799 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 14.8 m 69.46 125.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.026 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 88.2 p -113.36 94.41 4.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 0.0 109.98 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 t -156.29 136.66 13.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 110.029 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.85 161.8 1.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.056 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.0 149.26 25.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 0.0 111.033 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.0 p -84.06 75.79 10.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 109.958 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 176.54 169.44 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.004 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.1 -86.37 0.15 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -42.09 163.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.766 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.461 ' CD1' ' HE3' ' A' ' 31' ' ' MET . 36.3 mm -46.13 -93.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.405 ' HG ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -132.24 -57.46 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 m -139.56 -68.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -61.62 147.74 88.01 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.7 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.501 1.79 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.46 HD12 ' CD2' ' A' ' 59' ' ' LEU . 3.2 mt -107.11 148.51 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.536 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 7.9 tt0 -98.94 140.11 33.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.536 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . 87.42 -16.99 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.51 ' CH2' HD13 ' A' ' 22' ' ' ILE . 27.6 t-105 -53.62 109.05 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 108.006 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -132.98 161.74 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.71 -135.02 21.32 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.82 151.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -87.47 166.92 14.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.51 HD13 ' CH2' ' A' ' 17' ' ' TRP . 7.0 tt -86.95 -35.77 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.422 ' N ' HG21 ' A' ' 22' ' ' ILE . 1.6 mmmt -51.15 -24.24 3.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.4 p -62.48 -35.21 78.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.381 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.71 -75.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.521 ' O ' ' CB ' ' A' ' 27' ' ' ASN . . . 64.38 154.08 0.11 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.509 1.131 . . . . 0.0 111.052 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.521 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 1.2 t30 83.91 129.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 0.749 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.543 HG23 ' CE1' ' A' ' 52' ' ' PHE . 53.5 t -130.14 93.08 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.5 ' CD1' ' HB2' ' A' ' 53' ' ' SER . 53.7 mt -42.54 -81.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.518 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.3 OUTLIER -122.65 129.45 51.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.462 ' HE1' ' CD2' ' A' ' 50' ' ' LEU . 32.5 ttm -132.13 115.68 16.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.5 t -149.01 171.54 16.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -88.5 105.47 17.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.344 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.9 m -105.79 166.1 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 t -114.43 110.08 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.524 ' HE2' ' CZ ' ' A' ' 49' ' ' PHE . 1.2 tmm? -134.1 121.2 21.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -127.75 -178.33 4.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -88.43 -49.79 6.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.618 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 179.51 -116.04 0.5 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.13 . . . . 0.0 110.96 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.98 93.5 3.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.755 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.42 176.51 8.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 108.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -38.38 -85.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 44' ' ' LYS . 14.0 mt-10 -138.22 176.03 9.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 43' ' ' GLU . 13.7 pttt -39.2 138.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 36' ' ' MET . 5.3 tp10 -101.92 96.12 6.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -79.11 134.28 36.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -148.94 170.52 18.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.486 ' CE2' ' CZ ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -114.21 119.84 38.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.568 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 2.3 m-30 -106.74 122.51 46.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.462 ' CD2' ' HE1' ' A' ' 31' ' ' MET . 0.3 OUTLIER -110.17 109.96 20.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.595 HD23 ' CZ3' ' A' ' 117' ' ' TRP . 5.7 tp -86.13 108.11 18.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.622 ' CE2' HG13 ' A' ' 57' ' ' ILE . 8.6 m-30 -92.37 4.55 53.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.5 ' HB2' ' CD1' ' A' ' 29' ' ' ILE . 8.0 t 72.61 44.9 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.995 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 167.89 -26.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.985 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.418 HG22 ' N ' ' A' ' 56' ' ' LEU . 9.2 p -143.81 145.87 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.471 ' CB ' ' HE1' ' A' ' 79' ' ' MET . 3.1 tm? -104.86 90.34 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.622 HG13 ' CE2' ' A' ' 52' ' ' PHE . 23.3 mm -76.7 126.48 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.568 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 15.1 mtm -108.74 131.7 54.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.46 ' CD2' HD12 ' A' ' 14' ' ' ILE . 6.6 mp -124.98 158.41 33.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 p -149.2 129.31 13.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -98.91 97.6 8.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.471 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -73.02 -54.58 4.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.969 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.2 Cg_endo -74.95 127.47 10.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.1 83.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.251 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 30.4 ttp -169.68 -73.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 54.6 p -167.95 -176.36 3.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.98 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.48 156.55 13.48 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.486 ' CZ ' ' CE2' ' A' ' 48' ' ' TYR . 34.0 m-85 -130.1 154.57 47.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -123.16 121.1 35.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.956 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -71.01 142.7 50.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -153.3 98.61 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.347 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.03 162.07 0.49 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.11 133.37 17.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 0.785 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.467 ' HB ' ' CE ' ' A' ' 79' ' ' MET . 0.9 OUTLIER -108.59 114.01 59.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.471 ' O ' ' N ' ' A' ' 79' ' ' MET . 18.4 Cg_endo -75.01 135.16 18.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.412 ' O ' ' HB3' ' A' ' 79' ' ' MET . 15.8 mm -50.62 -44.31 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.19 -52.52 64.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -82.26 4.41 77.01 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.461 1.1 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.471 ' HE1' ' CB ' ' A' ' 56' ' ' LEU . 17.5 ttm -85.16 160.3 19.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 32.3 t -142.71 107.04 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.0 t -117.88 130.57 72.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 -164.67 46.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.17 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 40.13 54.02 2.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.456 ' CD1' ' OE1' ' A' ' 95' ' ' GLU . 0.2 OUTLIER 77.6 -60.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.46 ' HB2' ' CD1' ' A' ' 87' ' ' ILE . 4.9 p-10 -165.55 106.47 0.75 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.5 ' O ' ' O ' ' A' ' 87' ' ' ILE . 14.4 mt-10 -37.74 -73.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.611 ' N ' ' CD1' ' A' ' 87' ' ' ILE . 0.6 OUTLIER 56.84 150.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -72.98 58.06 0.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.142 . . . . 0.0 110.256 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 128.33 97.18 0.89 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.69 132.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 0.0 110.029 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -157.17 113.0 2.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.2 t -179.75 117.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 108.328 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.7 mtp 50.66 -173.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -153.64 159.45 42.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.456 ' OE1' ' CD1' ' A' ' 84' ' ' LEU . 7.4 pt-20 -122.69 157.0 33.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 76.5 mt -123.48 98.11 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 47.8 p -111.87 -175.76 2.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 109.62 91.81 2.16 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.55 1.156 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 25.2 t -176.56 -59.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 110.023 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.68 -51.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.42 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.7 p -176.09 55.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.291 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -136.47 142.4 43.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.415 ' HB3' ' CZ ' ' A' ' 103' ' ' ARG . 19.8 ttp-105 -129.29 119.38 23.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.496 ' CG2' ' HG3' ' A' ' 36' ' ' MET . 3.2 mt -92.52 110.98 23.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.1 t -93.82 98.15 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.7 t -82.39 123.69 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -86.36 165.16 16.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.588 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.58 174.29 7.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 108.294 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -121.55 15.73 11.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 62.04 117.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 178.91 -179.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -31.58 39.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.256 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.11 -59.6 4.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -48.79 -64.5 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -41.2 -41.8 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.425 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -60.9 -59.0 6.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.291 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.595 ' CZ3' HD23 ' A' ' 51' ' ' LEU . 46.8 m95 -49.8 -44.49 49.1 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -38.24 90.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.09 -69.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.46 ' OE1' ' CG2' ' A' ' 29' ' ' ILE . 6.7 pt20 -45.38 -57.12 4.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.462 ' CD1' ' O ' ' A' ' 117' ' ' TRP . 10.7 mt -47.14 -48.43 23.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.64 -29.13 58.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 120' ' ' GLN . 21.6 ttt180 -86.4 -59.16 2.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.479 ' CD1' ' HA ' ' A' ' 53' ' ' SER . 13.6 mt -45.17 -71.46 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 49.2 p -52.94 -55.6 22.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.415 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -103.21 101.7 11.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.365 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 26.4 t -91.72 84.44 5.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.024 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 52.98 -157.98 4.14 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.143 . . . . 0.0 111.032 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.5 11.15 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.48 1.779 . . . . 0.0 111.025 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 95.0 p -103.01 110.36 22.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.984 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 87.4 p -170.01 166.75 9.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.0 m -144.41 108.07 4.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 0.738 . . . . 0.0 110.022 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -91.46 103.27 15.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.968 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.65 100.73 1.34 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.72 163.88 4.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.783 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 65.74 165.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.967 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.81 -98.2 0.2 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.4 mp0 -78.38 144.16 36.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 0.796 . . . . 0.0 110.314 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.455 ' CG2' ' HG ' ' A' ' 10' ' ' LEU . 2.4 tt -43.1 -35.36 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.455 ' HG ' ' CG2' ' A' ' 9' ' ' ILE . 1.3 pp -146.54 -56.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m -148.89 -59.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -94.85 162.28 25.77 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -173.45 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.472 1.775 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.7 mt -83.31 154.7 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 70' ' ' TYR . 5.1 tt0 -105.05 126.82 52.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 74.59 20.36 2.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.568 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 39.4 t-105 -44.27 -76.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 73.27 103.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.29 -147.44 12.78 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.133 . . . . 0.0 111.062 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.4 -57.41 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -159.68 142.1 13.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.568 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 10.5 tt -82.45 -27.69 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.72 -2.95 52.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.9 t -92.21 -26.65 18.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.4 mt -68.27 -79.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -175.61 139.9 4.92 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.562 1.164 . . . . 0.0 111.043 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -44.94 156.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 109.312 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.526 HG22 ' CE1' ' A' ' 52' ' ' PHE . 92.3 t -83.72 100.93 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.484 ' CD1' ' HB3' ' A' ' 53' ' ' SER . 34.7 mt -55.97 -75.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.59 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.3 OUTLIER -122.93 121.51 36.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.974 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.46 ' CE ' HD21 ' A' ' 50' ' ' LEU . 32.5 ttm -124.15 121.31 34.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.24 163.08 33.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -80.69 109.83 15.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.4 m -105.23 175.47 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.475 HG23 ' CG ' ' A' ' 46' ' ' GLU . 1.8 t -124.6 107.91 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.51 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.3 tmm? -132.07 121.87 24.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.044 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.48 ' CB ' ' HB3' ' A' ' 45' ' ' GLU . 3.4 tm0? -131.96 173.78 10.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.0 -50.22 67.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.556 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -147.14 -81.26 0.04 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.469 1.105 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -141.74 -48.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.588 0.817 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 46.27 -166.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 108.291 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.497 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 1.8 mt-10 -49.18 -53.71 19.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.497 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 3.6 mm-40 -142.7 -169.65 3.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.406 ' CD ' HG22 ' A' ' 35' ' ' VAL . 3.8 ptpt -77.33 168.82 19.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 36' ' ' MET . 5.4 tp10 -120.33 102.16 8.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.475 ' CG ' HG23 ' A' ' 35' ' ' VAL . 19.4 mt-10 -79.84 145.61 32.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.442 ' NH2' ' OE1' ' A' ' 71' ' ' GLN . 0.2 OUTLIER -162.71 177.76 9.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -117.16 130.46 56.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.569 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 1.8 m-30 -119.42 118.76 31.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.46 HD21 ' CE ' ' A' ' 31' ' ' MET . 0.4 OUTLIER -109.13 111.85 23.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.477 ' CD2' HD13 ' A' ' 124' ' ' LEU . 4.9 tp -88.01 118.03 27.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.599 ' CE2' HG13 ' A' ' 57' ' ' ILE . 7.4 m-30 -101.72 4.32 40.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.484 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 1.5 p 73.17 44.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.3 OUTLIER 166.41 -26.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.97 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.1 p -143.87 143.72 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.509 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 2.2 tm? -104.88 94.36 5.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.577 1.173 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.599 HG13 ' CE2' ' A' ' 52' ' ' PHE . 9.9 mm -76.31 131.28 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.362 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.569 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 41.1 mtm -118.82 130.95 56.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.7 mp -119.9 157.71 28.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.9 t -119.02 148.96 42.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.49 131.12 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.04 172.12 7.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.993 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 64.01 6.01 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.428 1.752 . . . . 0.0 111.031 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.82 172.01 18.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.302 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.521 ' O ' ' CB ' ' A' ' 66' ' ' SER . 4.0 ttp -74.48 111.01 9.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 65' ' ' MET . 2.6 t 157.82 132.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.005 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.96 -122.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -107.67 148.27 29.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 15.6 ttt -121.77 121.38 37.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 111.003 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' GLN . 24.1 t80 -73.2 119.45 17.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.442 ' OE1' ' NH2' ' A' ' 47' ' ' ARG . 7.6 mm-40 -94.22 -62.16 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.42 ' O ' ' CE ' ' A' ' 58' ' ' MET . . . -155.13 167.71 32.88 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -132.13 132.4 43.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.468 ' CG2' ' HE3' ' A' ' 79' ' ' MET . 8.8 mt -106.12 116.22 59.85 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 125.32 9.22 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.553 1.817 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.459 ' HA ' ' CB ' ' A' ' 79' ' ' MET . 10.9 mm -51.32 -24.8 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.94 -64.63 0.87 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.453 ' O ' ' CA ' ' A' ' 98' ' ' GLY . . . -84.15 12.09 55.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.468 ' HE3' ' CG2' ' A' ' 74' ' ' ILE . 42.6 ttm -86.04 147.71 26.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 0.743 . . . . 0.0 110.959 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.5 t -137.88 107.84 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.4 t -117.88 151.77 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 22.6 p30 176.54 162.86 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.272 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' LEU . 1.1 ttt180 -73.62 57.8 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' ARG . 4.5 mm? 40.25 80.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -82.86 2.8 32.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.415 ' C ' ' CD1' ' A' ' 87' ' ' ILE . 1.7 mt-10 -81.58 -6.75 59.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.494 ' N ' ' CD1' ' A' ' 87' ' ' ILE . 0.9 OUTLIER -109.11 -146.93 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -132.03 68.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.81 115.34 0.12 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 t -168.11 120.55 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.767 . . . . 0.0 110.03 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.16 109.67 15.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.16 -45.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 108.294 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.52 ' HA ' ' CE2' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -138.94 162.35 35.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.42 ' HD2' ' CE2' ' A' ' 114' ' ' PHE . 32.7 p90 -130.58 176.61 8.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.476 ' OE1' ' CD ' ' A' ' 103' ' ' ARG . 8.3 pt-20 -128.84 150.09 50.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 37.0 mt -124.26 91.91 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 46.6 p -103.89 -175.68 2.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.408 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.453 ' CA ' ' O ' ' A' ' 78' ' ' GLY . . . 149.17 45.31 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.12 -167.99 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 110.06 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.456 ' O ' ' CG2' ' A' ' 101' ' ' VAL . 6.3 m -58.35 -56.33 23.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' A' ' 100' ' ' THR . 98.1 t -155.79 65.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -126.27 145.95 50.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.476 ' CD ' ' OE1' ' A' ' 95' ' ' GLU . 20.7 ttm105 -145.81 134.28 21.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.484 ' CG2' ' HG3' ' A' ' 36' ' ' MET . 5.4 mt -114.66 107.46 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 42.2 t -89.92 97.75 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.3 t -87.34 121.88 38.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -76.45 155.13 34.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.63 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.442 ' CB ' ' HB2' ' A' ' 114' ' ' PHE . 28.4 p -95.83 124.83 40.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 108.237 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -54.05 -53.03 58.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -140.87 -57.16 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.2 t30 177.39 -48.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -60.93 -61.28 2.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 112' ' ' GLN . 0.8 OUTLIER -40.26 -63.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.52 ' CE2' ' HA ' ' A' ' 93' ' ' MET . 0.9 OUTLIER -51.29 -54.38 26.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 111.006 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.5 ' N ' ' CD1' ' A' ' 114' ' ' PHE . 0.7 OUTLIER -37.24 -72.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -45.64 -58.97 3.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.59 ' CZ2' ' O ' ' A' ' 30' ' ' PHE . 26.0 m95 -43.21 -68.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 108.03 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.409 ' HG3' ' N ' ' A' ' 119' ' ' GLU . 0.7 OUTLIER -54.75 -19.37 6.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 116' ' ' GLU . 0.8 OUTLIER -75.62 -70.66 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.272 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 123' ' ' ARG . 8.0 pt20 -47.01 -54.4 10.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 5.5 mt -44.08 -52.02 7.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -48.56 -34.99 12.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 120' ' ' GLN . 28.4 ttt180 -83.06 -58.39 2.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.477 HD13 ' CD2' ' A' ' 51' ' ' LEU . 9.5 mt -46.52 -56.91 5.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 126' ' ' LYS . 26.4 p -68.29 -63.94 0.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.373 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.454 ' N ' ' OG1' ' A' ' 125' ' ' THR . 4.2 tttt 76.9 101.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.9 m -103.92 -64.62 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.955 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -127.77 156.21 20.51 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.538 1.149 . . . . 0.0 110.953 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 131' ' ' SER . 18.2 Cg_endo -75.03 91.37 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.45 1.763 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.405 ' O ' ' CB ' ' A' ' 131' ' ' SER . 0.5 OUTLIER 68.17 -69.49 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.007 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 129' ' ' PRO . 0.1 OUTLIER 78.3 161.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.132 . . . . 0.0 111.001 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.4 m 62.24 138.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.788 . . . . 0.0 109.998 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.05 -59.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.14 163.06 21.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.9 p -142.01 82.02 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 110.037 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.5 p -94.11 171.91 8.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.059 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.02 -145.23 0.79 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -102.32 -62.97 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 110.293 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.51 ' CD1' ' CE ' ' A' ' 31' ' ' MET . 19.2 mm 65.2 -76.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.45 ' HG ' HG23 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -96.74 103.89 15.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.02 -39.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -146.4 160.05 43.21 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 151.17 39.29 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.451 1.763 . . . . 0.0 111.035 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.473 ' CG2' ' HB2' ' A' ' 70' ' ' TYR . 6.0 mt -79.0 126.93 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.522 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 4.0 tt0 -60.86 139.33 58.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . 85.57 -38.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.537 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 33.8 t-105 -40.19 114.32 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 107.993 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -64.36 -175.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 20' ' ' ASP . . . -51.87 -43.23 54.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.115 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 19' ' ' GLY . 7.0 m-20 -38.79 136.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.56 151.91 24.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.537 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 12.4 tt -93.91 -19.58 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -74.83 -2.94 28.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.2 p -85.39 -27.61 25.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.348 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.9 mt -75.31 -66.0 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.153 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 163.71 -141.75 7.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.105 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.48 173.36 6.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 0.752 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.556 HG21 ' CE1' ' A' ' 52' ' ' PHE . 69.6 t -95.7 104.2 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 53' ' ' SER . 67.0 mt -57.83 -77.51 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.584 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -129.56 123.66 31.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.51 ' CE ' ' CD1' ' A' ' 9' ' ' ILE . 16.9 ptm -126.84 133.45 50.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.4 t -160.81 166.85 27.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 109.945 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -86.05 104.83 16.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.253 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.7 m -105.25 179.34 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.0 t -130.05 117.5 40.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.441 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 1.7 tmm? -139.64 122.28 16.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.448 ' OE1' ' N ' ' A' ' 38' ' ' HIS . 23.9 tm0? -122.81 -73.65 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.448 ' N ' ' OE1' ' A' ' 37' ' ' GLN . 51.5 t60 65.19 151.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.617 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 64.66 107.02 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.519 1.137 . . . . 0.0 111.043 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 41' ' ' CYS . . . 45.25 85.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 0.761 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 42' ' ' GLU . 30.2 p -54.86 -171.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 108.333 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER 163.8 -44.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' CG ' ' C ' ' A' ' 42' ' ' GLU . 7.1 mt-10 -154.76 176.86 11.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 110.232 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.11 102.21 14.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.235 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 36' ' ' MET . 0.6 OUTLIER -75.48 94.19 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -74.69 147.54 41.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.43 174.23 13.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -120.04 110.67 16.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 111.062 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.573 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 3.2 m-30 -99.17 125.2 44.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.437 HD23 ' CE ' ' A' ' 31' ' ' MET . 1.3 mt -115.36 110.57 19.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.518 HD21 ' CZ3' ' A' ' 117' ' ' TRP . 6.1 tp -85.86 115.69 23.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.611 ' CE2' HG13 ' A' ' 57' ' ' ILE . 7.3 m-30 -99.63 4.2 45.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.478 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 1.1 p 74.08 40.76 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.959 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.08 -30.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.954 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.476 ' CG2' ' HD3' ' A' ' 73' ' ' LYS . 8.8 p -142.43 155.82 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.503 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 2.0 tm? -111.25 93.69 4.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.611 HG13 ' CE2' ' A' ' 52' ' ' PHE . 11.8 mm -77.12 130.29 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.573 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 31.9 mtm -115.16 130.13 56.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.464 ' CD2' HD13 ' A' ' 14' ' ' ILE . 3.9 mp -120.43 159.92 24.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 57.4 m -137.99 148.87 45.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.996 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -125.11 66.2 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.48 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.3 OUTLIER -79.16 -55.23 0.94 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.992 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.48 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.4 Cg_endo -75.03 131.26 14.05 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.499 1.789 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.51 ' O ' ' C ' ' A' ' 65' ' ' MET . 17.3 ttt180 -55.9 144.91 26.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.51 ' C ' ' O ' ' A' ' 64' ' ' ARG . 2.8 ptm 28.47 62.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.0 t -138.76 52.47 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.98 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 39.53 -144.88 0.32 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.125 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -115.99 154.84 29.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 16.1 ttt -118.4 116.63 27.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.475 ' CD1' ' CZ3' ' A' ' 17' ' ' TRP . 60.5 t80 -71.83 111.18 6.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -83.07 -74.17 0.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -143.99 177.85 22.41 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.523 1.14 . . . . 0.0 111.0 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.476 ' HD3' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -137.77 138.87 39.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.483 ' HB ' ' CE ' ' A' ' 79' ' ' MET . 8.4 mt -119.59 122.89 28.94 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 127.72 10.91 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.47 1.774 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.464 ' HA ' ' CB ' ' A' ' 79' ' ' MET . 23.4 mm -55.12 -26.38 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.42 -72.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.02 -17.23 69.52 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.11 . . . . 0.0 111.06 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.483 ' CE ' ' HB ' ' A' ' 74' ' ' ILE . 28.5 ttm -55.86 154.79 6.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 0.753 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.6 t -142.58 107.09 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.405 ' O ' ' OD1' ' A' ' 82' ' ' ASN . 5.3 t -111.57 126.71 68.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 81' ' ' VAL . 68.8 m-20 -149.34 174.71 12.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.441 ' HB3' ' CB ' ' A' ' 91' ' ' ASP . 25.8 mtt85 -89.47 29.1 1.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.448 HD11 ' CG ' ' A' ' 95' ' ' GLU . 1.4 mp 40.42 32.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.495 ' OD1' ' CD1' ' A' ' 87' ' ' ILE . 2.3 m-20 -166.37 109.1 0.74 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -70.0 -16.0 63.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.267 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.495 ' CD1' ' OD1' ' A' ' 85' ' ' ASP . 0.8 OUTLIER -62.88 -138.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.405 ' H ' ' CG2' ' A' ' 87' ' ' ILE . 12.4 pt-20 -151.92 142.18 22.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 44.46 25.43 0.81 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.417 ' O ' ' CG ' ' A' ' 85' ' ' ASP . 0.5 OUTLIER -130.29 56.0 1.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 110.026 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.441 ' CB ' ' HB3' ' A' ' 83' ' ' ARG . 9.7 p-10 -135.42 -169.09 2.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -164.82 -70.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 108.28 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.8 mtp -105.14 -170.85 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -150.43 164.48 35.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.448 ' CG ' HD11 ' A' ' 84' ' ' LEU . 9.1 pt-20 -126.34 156.46 40.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 71.7 mt -121.35 98.55 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.486 ' CG2' ' HA ' ' A' ' 103' ' ' ARG . 43.3 p -109.32 -175.89 2.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 110.411 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.37 -48.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.07 -176.3 3.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 0.771 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.5 t -86.05 48.22 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.452 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.2 p -174.08 -42.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -49.34 153.33 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.241 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.486 ' HA ' ' CG2' ' A' ' 97' ' ' THR . 39.2 ttt180 -178.52 104.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.43 ' O ' ' HA ' ' A' ' 95' ' ' GLU . 0.9 OUTLIER -103.86 104.26 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.4 t -86.97 98.75 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.0 t -85.27 126.55 40.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -82.18 130.25 35.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.557 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 31.9 p -44.09 151.06 0.25 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 108.291 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.92 -59.49 1.97 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -157.66 -59.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.8 t30 178.24 -62.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -61.47 2.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -46.56 -63.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.485 ' CE1' ' HG3' ' A' ' 118' ' ' MET . 25.0 t80 -43.37 -57.37 3.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -42.73 -60.08 1.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.318 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -45.33 -59.24 2.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.584 ' CZ2' ' O ' ' A' ' 30' ' ' PHE . 62.4 m95 -46.5 -46.78 19.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 108.02 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.485 ' HG3' ' CE1' ' A' ' 114' ' ' PHE . 99.1 mmm -68.59 -27.86 66.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.987 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 116' ' ' GLU . 1.0 OUTLIER -75.0 -51.2 14.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.505 ' O ' ' CG ' ' A' ' 123' ' ' ARG . 1.4 pt20 -65.65 -59.42 3.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.446 ' H ' ' CG ' ' A' ' 120' ' ' GLN . 7.6 mt -49.03 -23.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.4 OUTLIER -64.73 -28.36 69.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.505 ' CG ' ' O ' ' A' ' 120' ' ' GLN . 3.1 ptt180 -104.74 -31.54 9.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.48 HD12 ' CD2' ' A' ' 51' ' ' LEU . 9.0 mt -65.9 -64.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 43.2 p -78.35 -44.19 25.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.434 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 40.77 71.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.4 m -104.17 93.43 4.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.981 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 132.3 -149.52 19.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -34.82 3.51 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 71.15 -65.35 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.025 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 87.5 p -65.59 90.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.024 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.464 1.103 . . . . 0.0 110.975 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.7 p -54.56 102.92 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 0.769 . . . . 0.0 110.024 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -166.03 -60.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.03 -125.83 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 m -54.27 135.21 44.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 110.012 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -167.34 83.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.982 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.31 149.96 21.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 0.0 110.957 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -155.23 162.71 40.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.763 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.468 HD13 ' CE ' ' A' ' 31' ' ' MET . 40.4 mm -79.07 -100.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.43 ' HG ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -132.23 -67.01 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -179.11 -62.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 109.972 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' SER . 10.2 mt-10 -38.5 157.35 0.11 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 144.59 30.36 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.789 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.492 ' CG2' ' HB2' ' A' ' 70' ' ' TYR . 5.6 mt -65.8 117.94 7.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.458 ' O ' ' CB ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -57.84 154.56 11.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . 81.83 -44.7 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.592 ' CH2' ' CD1' ' A' ' 22' ' ' ILE . 22.4 t-105 -37.08 136.17 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 108.022 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -163.65 147.59 10.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.51 137.91 0.14 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.432 1.083 . . . . 0.0 111.03 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 53.35 173.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.77 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -105.37 170.09 8.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.592 ' CD1' ' CH2' ' A' ' 17' ' ' TRP . 11.1 tt -96.02 -28.35 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -68.05 -15.59 63.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.4 p -75.55 -28.88 59.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.361 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.2 mt -71.17 -78.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.62 165.39 21.8 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -54.37 -179.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.77 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.578 HG21 ' CE1' ' A' ' 52' ' ' PHE . 97.2 t -104.33 105.42 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.505 ' CG2' ' OE1' ' A' ' 120' ' ' GLN . 16.6 mt -52.69 -77.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.543 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 3.4 t80 -136.42 129.73 31.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 111.035 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.468 ' CE ' HD13 ' A' ' 9' ' ' ILE . 4.8 ptm -128.59 137.36 51.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.6 p -161.84 152.63 17.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -68.49 107.31 2.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.4 m -107.04 175.51 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.434 HG23 ' CG ' ' A' ' 46' ' ' GLU . 2.1 t -126.2 108.61 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.509 ' HE1' ' CZ ' ' A' ' 49' ' ' PHE . 1.7 tmm? -131.55 124.03 29.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -123.37 -173.72 2.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -173.47 -49.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.593 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.96 -27.35 10.35 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 62.54 152.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 0.772 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.3 t -150.62 -74.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 108.332 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.54 -58.69 1.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 44' ' ' LYS . 8.4 mt-10 -149.62 -166.2 2.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 43' ' ' GLU . 13.5 mttt -39.15 157.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 36' ' ' MET . 37.1 mm-40 -113.43 91.68 3.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.434 ' CG ' HG23 ' A' ' 35' ' ' VAL . 15.5 mt-10 -74.43 144.32 44.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.241 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -162.35 169.45 20.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -111.95 124.46 52.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.562 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 1.8 m-30 -113.18 111.32 21.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.054 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 mt -100.34 107.72 19.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.368 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.556 ' HB2' ' CZ3' ' A' ' 117' ' ' TRP . 7.5 tp -85.02 113.61 21.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.587 ' CE2' HG13 ' A' ' 57' ' ' ILE . 7.2 m-30 -95.7 -3.84 45.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER 83.92 -13.18 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.979 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.02 -8.3 8.3 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.6 p -175.05 153.05 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.509 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 1.3 tm? -102.42 96.99 7.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.587 HG13 ' CE2' ' A' ' 52' ' ' PHE . 15.0 mm -77.12 139.16 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.562 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 17.3 mtm -120.19 137.14 54.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.484 ' HB3' ' CD1' ' A' ' 68' ' ' PHE . 10.0 mp -126.76 158.53 36.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.3 t -140.61 152.14 45.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -141.65 78.59 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.479 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -64.78 -52.81 48.16 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 110.004 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 62' ' ' SER . 18.2 Cg_endo -75.01 -174.04 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.785 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -62.52 162.23 10.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.413 ' O ' ' HG3' ' A' ' 65' ' ' MET . 5.1 ptm -47.89 113.53 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.2 t 179.93 85.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.72 -171.22 41.76 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.484 ' CD1' ' HB3' ' A' ' 59' ' ' LEU . 8.9 m-85 -136.44 174.96 10.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 6.4 ttt -135.27 108.75 7.88 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.492 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 66.4 t80 -56.06 133.28 51.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -135.74 92.96 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 59.03 169.26 0.25 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -151.34 136.36 17.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.735 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.4 ' HB ' ' CE ' ' A' ' 79' ' ' MET . 10.0 mt -100.23 124.8 41.85 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 136.52 20.46 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.5 mm -61.31 -26.0 38.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.51 -77.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -82.79 42.59 2.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.4 ' CE ' ' HB ' ' A' ' 74' ' ' ILE . 10.3 ttm -98.66 111.15 23.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.744 . . . . 0.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.2 t -102.03 107.34 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.0 t -116.29 132.8 64.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -151.36 160.49 43.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -90.91 25.47 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 40.25 66.28 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -100.71 9.84 41.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -69.59 -6.87 33.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 110.24 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -102.43 -147.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -149.28 48.68 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 119.62 104.62 2.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.02 59.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 56.66 169.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.51 ' O ' ' CG ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -83.64 -78.43 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 108.351 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.51 ' CG ' ' O ' ' A' ' 92' ' ' CYS . 19.6 ptm 44.08 -170.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -166.08 160.2 16.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -119.02 163.57 16.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 110.225 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 48.4 mt -130.27 96.37 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.461 ' CG2' ' HA ' ' A' ' 103' ' ' ARG . 60.8 p -116.36 -175.92 2.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -161.92 -42.97 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.57 -168.09 1.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 0.736 . . . . 0.0 110.001 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.9 t -93.31 35.12 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 47.9 t -153.11 -45.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -63.83 139.77 58.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.461 ' HA ' ' CG2' ' A' ' 97' ' ' THR . 49.0 ttp180 -167.5 111.84 0.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.47 ' CG2' ' HG3' ' A' ' 36' ' ' MET . 4.2 mt -111.79 121.54 64.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.1 t -99.77 97.63 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.1 t -87.57 114.72 26.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -77.07 142.58 39.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.603 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.538 ' CB ' ' CD1' ' A' ' 114' ' ' PHE . 21.5 p -119.18 173.98 6.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 108.319 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -128.62 11.45 6.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 57.8 t30 55.05 100.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -172.46 178.82 2.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.43 -25.76 62.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.256 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.51 -55.5 8.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.538 ' CD1' ' CB ' ' A' ' 108' ' ' CYS . 67.3 t80 -47.53 -58.76 3.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -40.67 -61.07 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.342 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -39.08 -66.37 0.29 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 110.274 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.556 ' CZ3' ' HB2' ' A' ' 51' ' ' LEU . 47.0 m95 -40.03 -56.09 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 108.023 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.04 -44.13 82.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.415 ' CG ' ' N ' ' A' ' 120' ' ' GLN . 1.5 tt0 -54.57 -67.71 0.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.505 ' OE1' ' CG2' ' A' ' 29' ' ' ILE . 8.8 pt20 -53.98 -57.6 10.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.41 HD12 ' C ' ' A' ' 117' ' ' TRP . 7.1 mt -42.72 -36.33 1.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -65.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.5 ' CG ' ' N ' ' A' ' 124' ' ' LEU . 1.1 ptm180 -61.37 -41.47 97.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.251 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.5 ' N ' ' CG ' ' A' ' 123' ' ' ARG . 6.6 mt -52.1 -83.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 72.4 p -45.58 -34.79 3.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 0.0 110.393 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt 57.17 78.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.92 113.79 15.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 114.09 149.71 10.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.453 1.096 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -50.44 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 7.9 t -120.72 148.55 43.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.1 t -55.84 -57.38 12.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.59 -57.2 1.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 0.76 . . . . 0.0 109.97 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.82 154.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 109.963 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.78 150.67 19.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.6 m -161.18 173.75 14.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 109.975 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -40.91 155.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 110.025 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.73 69.08 2.75 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -170.61 -50.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 110.313 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.551 HD11 ' CE2' ' A' ' 68' ' ' PHE . 1.6 tt -53.62 -20.78 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.27 24.42 11.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.8 t -147.27 -69.65 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.987 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -76.81 152.95 83.05 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 170.5 20.28 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 15' ' ' GLN . 4.3 mt -88.89 150.23 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.404 ' N ' HG23 ' A' ' 14' ' ' ILE . 5.8 tt0 -90.8 133.07 35.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 15' ' ' GLN . . . 77.14 16.61 1.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.586 ' CH2' ' CD1' ' A' ' 22' ' ' ILE . 73.5 t-105 -77.93 112.16 14.53 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -59.92 -177.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.85 -169.96 0.26 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.566 1.166 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 61.11 118.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.471 ' CB ' HG21 ' A' ' 24' ' ' THR . 0.4 OUTLIER -55.95 155.23 6.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.586 ' CD1' ' CH2' ' A' ' 17' ' ' TRP . 13.1 tt -82.37 -32.14 10.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -23.19 62.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.471 HG21 ' CB ' ' A' ' 21' ' ' ASP . 20.8 p -67.41 -28.46 67.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.433 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.93 -65.81 0.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.17 -149.95 17.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -101.68 -174.11 2.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 0.775 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.561 HG21 ' CE1' ' A' ' 52' ' ' PHE . 79.2 t -111.4 95.85 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.478 ' CD1' ' HB2' ' A' ' 53' ' ' SER . 55.5 mt -49.25 -78.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.571 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -123.67 121.07 34.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.965 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.483 ' HB2' ' CG1' ' A' ' 28' ' ' VAL . 32.1 ttm -123.67 123.96 41.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.2 t -158.88 164.39 35.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -81.49 109.0 15.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.8 m -105.05 172.8 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.462 HG22 ' CG ' ' A' ' 46' ' ' GLU . 2.2 t -122.8 116.63 49.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.637 ' O ' ' CB ' ' A' ' 37' ' ' GLN . 1.6 tmm? -140.63 123.66 16.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.637 ' CB ' ' O ' ' A' ' 36' ' ' MET . 4.0 tp-100 97.74 159.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -171.95 158.51 4.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.592 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.62 -174.93 47.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.78 72.61 8.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.7 t -127.98 -53.92 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 108.298 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.415 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 2.4 mt-10 -166.27 -79.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.415 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 5.2 mm-40 -141.16 -169.85 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -42.93 163.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.514 ' CB ' ' HB3' ' A' ' 37' ' ' GLN . 68.6 mm-40 -104.65 86.8 2.55 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.462 ' CG ' HG22 ' A' ' 35' ' ' VAL . 11.4 mt-10 -71.55 148.65 46.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.54 174.44 13.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -117.18 128.03 54.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.505 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 2.8 m-30 -117.55 119.86 36.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.471 HD22 ' CE ' ' A' ' 31' ' ' MET . 0.3 OUTLIER -107.9 111.81 24.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.538 HD21 ' CE3' ' A' ' 117' ' ' TRP . 6.2 tp -86.94 110.21 19.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.608 ' CE2' HG13 ' A' ' 57' ' ' ILE . 6.8 m-30 -98.6 7.03 46.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.478 ' HB2' ' CD1' ' A' ' 29' ' ' ILE . 4.5 t 65.44 48.55 2.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.152 . . . . 0.0 110.034 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.415 ' N ' HG13 ' A' ' 76' ' ' ILE . 0.3 OUTLIER 167.02 -26.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.034 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.434 HG23 ' N ' ' A' ' 56' ' ' LEU . 4.7 p -149.86 142.49 17.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.47 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 2.2 tm? -101.59 94.06 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.608 HG13 ' CE2' ' A' ' 52' ' ' PHE . 11.6 mm -76.73 127.44 37.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.505 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 35.8 mtm -112.61 135.74 52.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.6 mp -121.32 162.13 20.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 69' ' ' MET . 0.7 OUTLIER -140.41 123.37 16.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.984 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.65 158.99 18.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.481 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.1 OUTLIER 173.99 -54.91 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.2 Cg_endo -75.07 -171.49 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.542 1.812 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -128.31 152.17 48.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.301 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.4 tpt 59.7 85.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.3 p 168.32 -31.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.86 -115.92 5.44 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.454 1.097 . . . . 0.0 110.975 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.551 ' CE2' HD11 ' A' ' 9' ' ' ILE . 25.2 m-85 -122.36 158.56 29.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 60' ' ' SER . 5.9 ttt -120.07 130.14 54.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -85.45 148.27 26.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -121.69 -72.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 110.288 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -137.7 168.82 24.36 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.145 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -138.29 130.08 28.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 0.0 109.361 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.492 ' HB ' ' CE ' ' A' ' 79' ' ' MET . 14.1 mt -108.51 122.07 41.43 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 129.24 12.15 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.485 1.781 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.48 ' HA ' ' CB ' ' A' ' 79' ' ' MET . 29.0 mm -54.45 -25.41 14.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.13 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.67 -66.49 0.46 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.435 ' O ' ' CA ' ' A' ' 98' ' ' GLY . . . -84.23 15.41 39.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.492 ' CE ' ' HB ' ' A' ' 74' ' ' ILE . 22.3 ttm -83.3 143.78 30.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 111.05 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.3 t -125.65 107.98 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.408 ' O ' ' CG ' ' A' ' 82' ' ' ASN . 9.6 t -106.65 139.08 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 81' ' ' VAL . 21.3 m-20 179.78 132.42 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 84' ' ' LEU . 1.7 ptp85 -69.97 57.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 83' ' ' ARG . 4.0 mm? 37.9 88.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.05 114.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.504 ' O ' ' C ' ' A' ' 87' ' ' ILE . 19.2 mt-10 -72.76 -23.3 60.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.504 ' C ' ' O ' ' A' ' 86' ' ' GLU . 47.4 mm 31.56 -106.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -155.12 107.38 2.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 52.52 50.65 47.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.461 1.101 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.9 t -115.65 87.07 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.785 . . . . 0.0 110.039 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -104.03 145.97 29.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.44 ' O ' ' CE1' ' A' ' 114' ' ' PHE . 0.1 OUTLIER 178.08 -72.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 108.28 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.0 ptm -141.22 162.89 34.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -132.24 169.34 16.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.477 ' OE1' ' CD ' ' A' ' 103' ' ' ARG . 6.3 pt-20 -122.62 141.05 52.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 74.3 mt -110.9 100.87 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.408 ' CG2' ' HG3' ' A' ' 103' ' ' ARG . 52.5 p -123.77 -175.87 3.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.384 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.435 ' CA ' ' O ' ' A' ' 78' ' ' GLY . . . 178.56 -79.87 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.2 -19.27 13.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.028 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 49.3 m -90.37 172.37 8.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.368 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 11.2 m -116.35 -31.66 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -38.48 -38.8 0.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.477 ' CD ' ' OE1' ' A' ' 95' ' ' GLU . 27.9 ttp180 63.72 127.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.486 ' CD1' HD12 ' A' ' 74' ' ' ILE . 2.3 mt -95.63 109.21 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.42 ' CG2' ' NE ' ' A' ' 103' ' ' ARG . 50.1 t -96.47 98.35 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.5 t -86.46 117.9 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -70.33 148.83 48.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.626 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.545 ' SG ' ' CG ' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -47.78 108.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 108.346 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -41.3 -49.94 3.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -170.78 -66.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -170.69 -70.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.06 -55.93 7.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 1.3 m-20 -48.39 -52.42 21.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.545 ' CG ' ' SG ' ' A' ' 108' ' ' CYS . 12.4 t80 -48.8 -59.01 3.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.12 -46.25 11.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -52.27 -58.7 5.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.295 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.571 ' CZ2' ' O ' ' A' ' 30' ' ' PHE . 54.6 m95 -45.64 -43.51 12.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 107.952 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.41 ' O ' ' HB2' ' A' ' 122' ' ' ASN . 0.0 OUTLIER -65.75 -35.57 81.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 111.028 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 122' ' ' ASN . 0.0 OUTLIER -65.87 -64.0 0.96 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.464 ' O ' ' CG ' ' A' ' 123' ' ' ARG . 0.3 OUTLIER -50.01 -58.42 5.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 110.262 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 117' ' ' TRP . 6.5 mt -50.57 -22.67 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 119' ' ' GLU . 1.2 t-20 -72.45 -27.78 62.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.474 ' CZ ' HD22 ' A' ' 124' ' ' LEU . 4.2 ptm180 -105.31 -33.82 8.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.34 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.487 HD13 ' CD2' ' A' ' 51' ' ' LEU . 19.7 mt -59.12 -77.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.469 ' HA ' ' CG2' ' A' ' 76' ' ' ILE . 70.8 p -48.15 -30.02 4.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.369 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -54.95 -68.48 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.2 t 71.25 -68.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.004 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -124.86 157.15 19.07 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.552 1.157 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 89.32 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.96 150.84 47.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.97 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 88.7 p -173.56 164.61 4.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.035 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -118.62 162.76 29.07 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.02 43.01 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 111.043 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.733 ' CD1' HD21 ' A' ' 59' ' ' LEU . 9.6 mt -74.55 125.04 33.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.72 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 3.6 tt0 -57.84 139.56 53.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 86.73 -37.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.594 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 31.3 t-105 -40.52 131.97 2.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 107.997 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -168.54 112.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.26 -78.67 0.08 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -142.41 -72.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.699 ' O ' HG22 ' A' ' 24' ' ' THR . 0.4 OUTLIER -170.27 160.29 7.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.594 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 4.8 tt -94.47 -32.07 4.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.07 -10.83 60.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.699 HG22 ' O ' ' A' ' 21' ' ' ASP . 6.1 t -84.03 -27.39 28.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 110.427 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.9 mt -68.33 -46.84 69.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 158.46 -118.04 0.81 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.469 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 1.2 m-20 -134.6 -166.04 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 109.359 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.81 HG22 ' HE1' ' A' ' 52' ' ' PHE . 74.6 t -118.44 93.9 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.753 HD11 ' CB ' ' A' ' 53' ' ' SER . 61.0 mt -48.46 -78.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 113' ' ' ASP . 0.3 OUTLIER -124.14 123.32 40.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.642 ' HE2' HD22 ' A' ' 50' ' ' LEU . 35.8 ttm -124.0 127.46 47.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.6 t -160.83 166.93 27.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.993 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -85.85 108.39 18.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 110.336 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.482 ' HB ' ' CG1' ' A' ' 106' ' ' VAL . 11.3 m -105.49 177.92 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.491 ' O ' HG12 ' A' ' 35' ' ' VAL . 1.4 t -131.7 107.22 12.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.455 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 3.4 tmm? -128.15 121.17 28.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.431 ' CB ' ' HB2' ' A' ' 45' ' ' GLU . 9.8 tm0? -129.11 -72.74 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -177.25 -170.94 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.627 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.25 71.24 2.73 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.143 . . . . 0.0 111.052 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 60.2 111.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 0.78 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.9 t -147.1 -74.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 108.305 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.423 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 5.7 mt-10 -123.85 -71.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.423 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 10.3 mm-40 -141.42 -168.52 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.262 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -84.16 -179.47 7.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' A' ' 36' ' ' MET . 1.1 mm-40 -151.17 99.97 2.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.454 ' HG2' HG23 ' A' ' 35' ' ' VAL . 1.3 mt-10 -73.69 139.82 45.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.45 165.68 25.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -107.17 133.63 51.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.782 ' C ' HD23 ' A' ' 50' ' ' LEU . 2.0 m-30 -119.04 125.81 50.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.782 HD23 ' C ' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -115.5 110.01 18.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.638 HD23 ' OE1' ' A' ' 120' ' ' GLN . 6.8 tp -88.45 111.65 22.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.81 ' HE1' HG22 ' A' ' 28' ' ' VAL . 7.7 m-30 -94.68 -4.69 47.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.16 . . . . 0.0 111.042 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.753 ' CB ' HD11 ' A' ' 29' ' ' ILE . 0.5 OUTLIER 84.23 -13.66 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.991 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.36 -4.28 7.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.401 HG21 ' HD3' ' A' ' 73' ' ' LYS . 1.2 p -176.27 154.26 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.372 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.789 HD12 HD12 ' A' ' 74' ' ' ILE . 1.3 tm? -106.45 98.96 8.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.584 HG13 ' CE2' ' A' ' 52' ' ' PHE . 11.5 mm -81.59 134.81 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.643 ' O ' HD12 ' A' ' 59' ' ' LEU . 38.1 mtm -119.04 133.79 55.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.739 HD22 HD11 ' A' ' 50' ' ' LEU . 4.2 mp -121.38 160.22 24.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.1 t -138.75 152.69 48.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -126.92 62.37 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.483 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -43.02 -52.9 11.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 62' ' ' SER . 18.3 Cg_endo -75.02 -162.64 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.526 1.803 . . . . 0.0 111.004 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.52 -85.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.332 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -134.91 109.8 8.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.3 t 179.71 90.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.94 -166.65 2.68 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.51 ' CD1' ' HB3' ' A' ' 59' ' ' LEU . 7.5 m-85 -128.96 171.15 12.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 0.737 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 20.6 ttt -128.11 118.54 23.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.476 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 23.4 t80 -74.01 123.16 23.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -94.68 -70.59 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -146.75 172.16 27.34 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.459 1.099 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.401 ' HD3' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -132.08 139.03 48.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.766 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.789 HD12 HD12 ' A' ' 56' ' ' LEU . 2.5 mt -117.58 115.78 37.23 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.452 ' C ' ' N ' ' A' ' 77' ' ' ALA . 18.2 Cg_endo -75.04 127.11 10.39 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 40.8 mm -41.07 -28.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.244 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.452 ' N ' ' C ' ' A' ' 75' ' ' PRO . . . -70.04 132.07 45.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.97 -15.8 25.02 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.53 ' HE3' ' HB ' ' A' ' 74' ' ' ILE . 3.5 tpp -53.04 153.11 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 36.8 t -138.73 111.53 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.7 t -131.43 119.05 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 83' ' ' ARG . 72.0 m-20 -149.4 41.81 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.536 ' HB3' ' HE2' ' A' ' 118' ' ' MET . 28.0 ptt180 38.11 37.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.788 HD13 ' CE ' ' A' ' 93' ' ' MET . 2.8 mt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.492 ' O ' ' CG ' ' A' ' 93' ' ' MET . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.788 ' CE ' HD13 ' A' ' 84' ' ' LEU . 15.5 ptt? 42.57 -167.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.45 ' CB ' ' HA ' ' A' ' 83' ' ' ARG . 17.9 p90 -167.65 157.56 10.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.569 ' HB3' HD11 ' A' ' 84' ' ' LEU . 9.6 pt-20 -112.71 166.23 11.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.375 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.44 HD11 ' HE2' ' A' ' 94' ' ' PHE . 52.4 mt -135.85 93.01 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.847 HG22 ' HA ' ' A' ' 103' ' ' ARG . 21.9 p -113.94 -175.48 2.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 134.08 60.79 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.55 -170.16 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.963 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.442 HG22 HG12 ' A' ' 101' ' ' VAL . 97.5 m -42.56 -63.86 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.361 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.655 HG22 ' O ' ' A' ' 101' ' ' VAL . 2.1 p -163.79 63.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 103' ' ' ARG . 1.1 tp10 -124.6 137.58 54.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.847 ' HA ' HG22 ' A' ' 97' ' ' THR . 43.6 ttp180 -137.81 119.53 15.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.63 ' CD1' HD11 ' A' ' 74' ' ' ILE . 1.9 mt -96.9 110.44 24.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.0 t -97.67 98.49 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.482 ' CG1' ' HB ' ' A' ' 34' ' ' VAL . 4.6 t -85.03 135.68 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.46 157.82 37.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.592 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.16 -168.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 108.282 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -160.06 -44.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 72.14 79.48 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 179.68 166.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -20.59 11.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 4.3 m-20 -65.67 -53.16 44.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -50.52 -61.48 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -35.8 12.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -57.75 9.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.624 ' O ' HD12 ' A' ' 121' ' ' LEU . 51.5 m95 -47.56 -46.28 27.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 107.95 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.536 ' HE2' ' HB3' ' A' ' 83' ' ' ARG . 94.5 mmm -67.48 -34.61 77.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 122' ' ' ASN . 0.4 OUTLIER -64.91 -53.94 38.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.638 ' OE1' HD23 ' A' ' 51' ' ' LEU . 1.9 pt20 -65.55 -57.58 7.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.35 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 117' ' ' TRP . 9.9 mt -46.93 -27.06 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.3 OUTLIER -68.22 -54.16 19.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.44 ' HG3' ' N ' ' A' ' 124' ' ' LEU . 3.9 ptp180 -74.75 -35.16 62.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.673 HD13 ' HA ' ' A' ' 53' ' ' SER . 6.2 mt -55.93 -76.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 121' ' ' LEU . 60.2 p -46.4 -31.07 2.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.418 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 95.1 mttt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.306 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' GLU . 13.8 m . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' SER . 5.3 mt-10 -38.98 152.76 0.18 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -164.38 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.475 1.776 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.933 ' CD1' HD21 ' A' ' 59' ' ' LEU . 5.2 mt -96.62 152.54 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.666 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 6.2 tt0 -97.76 127.51 43.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 81.5 22.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.792 ' CZ2' HD12 ' A' ' 22' ' ' ILE . 69.7 t-105 -80.25 129.69 34.68 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -126.38 -179.67 4.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.97 -95.7 1.09 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -164.44 -53.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.537 ' CB ' HG23 ' A' ' 24' ' ' THR . 0.4 OUTLIER -160.45 151.26 18.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.792 HD12 ' CZ2' ' A' ' 17' ' ' TRP . 4.9 tt -82.33 -20.67 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -74.3 -7.85 54.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.537 HG23 ' CB ' ' A' ' 21' ' ' ASP . 29.8 p -80.02 -31.48 39.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.443 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 79.4 mt -73.6 -63.67 1.15 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.15 -152.79 22.53 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -105.22 154.54 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.848 HG22 ' CE1' ' A' ' 52' ' ' PHE . 89.5 t -78.5 96.66 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.693 HG22 ' N ' ' A' ' 30' ' ' PHE . 8.0 mt -44.77 -78.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.693 ' N ' HG22 ' A' ' 29' ' ' ILE . 84.4 t80 -141.32 119.53 12.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.5 ptm -112.57 146.14 39.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.3 t -161.63 153.42 19.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -73.85 105.41 5.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.1 m -105.41 178.89 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.565 HG22 ' HG3' ' A' ' 46' ' ' GLU . 2.1 t -131.33 111.64 19.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.69 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.6 tmm? -133.06 119.56 20.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -121.65 -97.69 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -158.55 -51.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.596 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -172.96 -73.8 0.05 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -164.83 101.32 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.6 m -119.51 -71.36 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 108.295 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.448 ' C ' ' CG ' ' A' ' 43' ' ' GLU . 19.5 mt-10 -128.4 -53.44 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.227 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.448 ' CG ' ' C ' ' A' ' 42' ' ' GLU . 4.9 mt-10 -154.18 -176.17 5.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.325 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.401 ' HB2' ' CG1' ' A' ' 35' ' ' VAL . 39.3 pttt -75.63 153.98 36.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 36' ' ' MET . 24.1 tt0 -114.59 104.79 12.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.565 ' HG3' HG22 ' A' ' 35' ' ' VAL . 12.5 mt-10 -80.84 147.98 30.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.64 174.82 12.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -120.56 116.66 25.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.571 ' C ' HD23 ' A' ' 50' ' ' LEU . 2.5 m-30 -104.44 121.28 43.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.956 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.728 HD11 HD22 ' A' ' 59' ' ' LEU . 1.3 mt -108.25 115.06 29.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.865 HD21 HD12 ' A' ' 124' ' ' LEU . 10.4 tp -91.8 112.42 24.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.848 ' CE1' HG22 ' A' ' 28' ' ' VAL . 8.9 m-30 -95.25 0.58 54.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.573 ' CB ' HD11 ' A' ' 29' ' ' ILE . 0.9 OUTLIER 79.36 35.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.001 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.39 -32.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.046 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.8 p -138.24 149.4 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.768 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.4 tm? -107.53 93.45 4.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.625 HG13 ' CE2' ' A' ' 52' ' ' PHE . 5.0 mm -77.03 135.13 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.566 ' O ' HD12 ' A' ' 59' ' ' LEU . 12.6 mtm -119.75 127.85 53.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.933 HD21 ' CD1' ' A' ' 14' ' ' ILE . 1.6 mp -119.24 161.18 20.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.4 m -127.72 135.48 50.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -137.34 29.11 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.471 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.2 OUTLIER -39.38 -54.93 3.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.958 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.5 Cg_endo -74.94 144.65 30.74 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.793 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.471 ' C ' ' CG ' ' A' ' 65' ' ' MET . 0.5 OUTLIER -102.11 85.02 2.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.471 ' CG ' ' C ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER 165.32 -29.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 111.007 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.8 m -96.53 165.19 12.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.959 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.45 -147.13 0.7 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.131 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.7 ' HD2' HD23 ' A' ' 59' ' ' LEU . 12.4 m-30 -108.09 144.87 34.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 0.765 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.1 ttt -116.25 131.88 56.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -86.73 126.1 34.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -101.01 -64.31 1.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -149.88 175.21 29.1 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -138.39 138.6 38.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 0.753 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.603 HD11 HD12 ' A' ' 104' ' ' ILE . 4.1 mt -113.04 121.76 37.45 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 125.65 9.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.742 HD13 ' SD ' ' A' ' 79' ' ' MET . 10.4 mm -51.63 -26.35 6.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.09 -72.65 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -71.44 -3.66 54.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.435 1.084 . . . . 0.0 110.964 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.742 ' SD ' HD13 ' A' ' 76' ' ' ILE . 32.5 ttm -67.72 146.62 53.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.4 t -135.78 108.77 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.637 HG21 HD22 ' A' ' 121' ' ' LEU . 3.8 t -110.77 140.2 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.486 ' O ' HD12 ' A' ' 84' ' ' LEU . 55.7 m-20 -174.04 165.99 4.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.29 11.52 11.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.744 HD11 ' HG2' ' A' ' 95' ' ' GLU . 6.4 mp . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 27.8 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.1 ptt? -148.87 -170.07 3.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -148.25 157.86 43.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.744 ' HG2' HD11 ' A' ' 84' ' ' LEU . 6.4 pt-20 -120.88 139.9 52.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 53.0 mt -107.91 117.55 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.621 HG22 ' HA ' ' A' ' 103' ' ' ARG . 46.6 p -126.11 -175.61 3.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.422 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 133.7 69.25 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.46 -173.46 0.43 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.573 0.808 . . . . 0.0 110.004 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.498 HG23 ' N ' ' A' ' 101' ' ' VAL . 2.4 t -40.31 -55.59 2.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.412 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.498 ' N ' HG23 ' A' ' 100' ' ' THR . 4.5 p -177.55 68.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -130.55 146.05 52.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.621 ' HA ' HG22 ' A' ' 97' ' ' THR . 14.8 ttm105 -133.47 143.76 49.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.69 HG23 ' HG3' ' A' ' 36' ' ' MET . 2.8 mt -119.03 108.72 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 37.6 t -89.47 98.18 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.1 t -87.48 117.86 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.252 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -74.71 132.22 41.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.559 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 32.1 p -51.72 127.84 21.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 108.27 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -61.45 -61.15 2.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -154.74 -65.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -174.18 -65.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -56.09 -62.33 1.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.05 -59.17 4.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -44.11 -53.57 6.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -48.42 -59.36 3.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.12 -53.59 3.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.673 ' HE3' HD11 ' A' ' 121' ' ' LEU . 60.1 m95 -54.29 -51.05 65.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 108.037 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 99.6 mmm -64.68 -17.81 64.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 111.018 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -79.7 -59.06 2.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.517 ' O ' ' N ' ' A' ' 123' ' ' ARG . 7.0 pt20 -61.05 -56.99 14.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.673 HD11 ' HE3' ' A' ' 117' ' ' TRP . 5.5 mt -49.19 -23.8 1.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.5 OUTLIER -69.49 -29.4 67.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 120' ' ' GLN . 3.9 ptp180 -104.72 -36.34 7.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.347 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.865 HD12 HD21 ' A' ' 51' ' ' LEU . 25.1 mt -58.86 -70.93 0.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 126' ' ' LYS . 23.7 p -67.66 -61.33 1.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.443 ' N ' ' OG1' ' A' ' 125' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -60.51 157.27 37.4 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.34 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.32 13.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.48 1.779 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.717 HD13 HD21 ' A' ' 59' ' ' LEU . 8.2 mt -80.57 156.14 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.52 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 5.4 tt0 -94.39 134.54 36.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 72.22 25.98 2.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.592 ' CZ2' HD12 ' A' ' 22' ' ' ILE . 71.5 t-105 -89.42 98.14 11.59 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -122.86 161.0 24.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.081 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.08 -68.02 0.31 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.102 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -165.81 -174.07 2.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.698 ' HB3' HG23 ' A' ' 24' ' ' THR . 0.2 OUTLIER -69.53 160.94 30.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.592 HD12 ' CZ2' ' A' ' 17' ' ' TRP . 9.9 tt -93.76 -34.36 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.231 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -59.12 -18.84 39.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.698 HG23 ' HB3' ' A' ' 21' ' ' ASP . 48.3 p -72.98 -30.55 63.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.404 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.7 mt -69.37 -63.12 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 162.37 -137.72 4.99 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.98 160.27 23.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.844 HG22 ' HE1' ' A' ' 52' ' ' PHE . 88.0 t -80.16 102.1 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.533 HG22 ' N ' ' A' ' 30' ' ' PHE . 1.4 mp -59.66 -77.45 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.571 ' CD1' ' NE1' ' A' ' 117' ' ' TRP . 1.0 OUTLIER -119.86 122.29 40.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.608 ' HE3' HD22 ' A' ' 50' ' ' LEU . 33.5 ttm -124.17 121.37 34.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.1 p -156.91 145.8 20.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.004 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -72.56 108.07 5.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.464 ' CG2' HG13 ' A' ' 106' ' ' VAL . 9.6 m -105.22 179.15 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.595 HG22 ' HG3' ' A' ' 46' ' ' GLU . 2.3 t -124.97 112.96 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.509 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.9 tmm? -137.72 124.0 20.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.19 169.32 10.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -75.53 -76.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.596 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -141.96 -74.06 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -130.05 126.32 37.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -160.09 -168.15 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 108.271 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -44.21 -91.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -133.93 -169.6 2.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -42.68 141.34 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 36' ' ' MET . 3.3 tp10 -105.74 95.96 6.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.595 ' HG3' HG22 ' A' ' 35' ' ' VAL . 18.3 mt-10 -75.63 147.19 39.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.412 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 0.0 OUTLIER -162.5 175.95 10.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.402 ' O ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -118.36 129.71 55.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.842 ' C ' HD23 ' A' ' 50' ' ' LEU . 3.1 m-30 -117.22 124.28 48.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.874 HD11 HD22 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -110.59 110.44 21.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.652 HD22 ' CZ3' ' A' ' 117' ' ' TRP . 7.2 tp -87.88 112.53 22.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.844 ' HE1' HG22 ' A' ' 28' ' ' VAL . 9.0 m-30 -100.2 8.34 43.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.777 ' HA ' HD13 ' A' ' 124' ' ' LEU . 9.3 t 65.45 41.11 4.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 178.38 -31.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.747 HG21 ' HD3' ' A' ' 73' ' ' LYS . 5.1 p -148.07 142.18 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.755 HD13 ' O ' ' A' ' 56' ' ' LEU . 1.8 tm? -100.02 100.24 11.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.629 HG13 ' CE2' ' A' ' 52' ' ' PHE . 5.1 mm -84.19 132.06 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.765 ' O ' HD12 ' A' ' 59' ' ' LEU . 2.3 mpp? -109.12 133.12 53.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.874 HD22 HD11 ' A' ' 50' ' ' LEU . 6.0 mp -128.65 161.83 28.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 47' ' ' ARG . 34.2 t -149.61 153.5 37.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.954 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -126.26 73.97 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.467 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -67.02 -53.47 25.55 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.017 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 62' ' ' SER . 18.4 Cg_endo -75.03 -174.59 2.0 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.483 1.78 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.58 151.17 47.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.338 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 ptm -37.74 108.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.7 t 179.29 88.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.13 -175.17 24.9 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.555 ' CB ' HD23 ' A' ' 59' ' ' LEU . 12.9 m-85 -130.86 158.7 39.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.402 ' O ' ' HA ' ' A' ' 59' ' ' LEU . 8.9 ttt -112.21 133.52 54.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.421 ' CD1' ' CZ3' ' A' ' 17' ' ' TRP . 53.7 t80 -93.82 131.58 39.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -104.05 -66.56 0.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -144.27 -170.2 13.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.747 ' HD3' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -150.59 137.73 19.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 0.787 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.552 HD11 ' CD1' ' A' ' 104' ' ' ILE . 3.7 mt -111.6 121.07 40.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 124.19 8.4 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.514 1.797 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.82 HD13 ' SD ' ' A' ' 79' ' ' MET . 25.9 mm -56.2 -22.82 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.86 -65.27 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -85.35 14.38 50.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.559 1.162 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.82 ' SD ' HD13 ' A' ' 76' ' ' ILE . 9.7 ttm -78.09 145.3 35.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 0.741 . . . . 0.0 111.013 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 97' ' ' THR . 41.1 t -126.75 107.5 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.631 HG21 HD22 ' A' ' 121' ' ' LEU . 6.0 t -108.32 148.71 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 15.2 p30 170.67 139.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.62 55.18 1.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.495 HD21 ' HB3' ' A' ' 95' ' ' GLU . 4.0 mm? . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 114' ' ' PHE . 26.9 p . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.8 ptt? -146.2 159.06 43.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.649 ' HE2' HD11 ' A' ' 96' ' ' ILE . 33.1 p90 -137.49 170.11 16.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.495 ' HB3' HD21 ' A' ' 84' ' ' LEU . 12.9 pt-20 -120.18 139.55 52.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.649 HD11 ' HE2' ' A' ' 94' ' ' PHE . 76.3 mt -113.6 100.21 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.693 HG22 ' HA ' ' A' ' 103' ' ' ARG . 0.7 OUTLIER -130.67 -174.22 3.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.398 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 99' ' ' SER . . . -129.83 -62.17 0.1 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 98' ' ' GLY . 2.9 p 160.98 48.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.61 ' O ' HG23 ' A' ' 101' ' ' VAL . 22.4 m -158.13 -92.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.769 ' O ' HG12 ' A' ' 101' ' ' VAL . 41.9 t -157.91 57.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 109.353 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -129.69 20.48 5.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.277 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.693 ' HA ' HG22 ' A' ' 97' ' ' THR . 41.0 ttm180 -49.9 131.5 22.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.552 ' CD1' HD11 ' A' ' 74' ' ' ILE . 2.6 mt -126.67 108.2 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.7 t -93.34 100.22 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.464 HG13 ' CG2' ' A' ' 34' ' ' VAL . 8.9 t -86.22 126.82 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -85.24 164.12 18.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.621 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 86.1 m -152.33 146.25 25.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 108.295 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -104.58 -52.29 2.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -99.54 -176.46 3.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -114.1 21.15 15.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -97.63 -69.21 0.77 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -53.63 -48.78 69.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.577 ' CE1' ' HG3' ' A' ' 118' ' ' MET . 11.4 t80 -53.1 -53.18 54.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.088 . . . . 0.0 111.005 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.6 -61.41 1.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.331 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.415 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -47.75 -59.38 3.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.659 ' O ' HD12 ' A' ' 121' ' ' LEU . 40.0 m95 -46.14 -49.58 16.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 108.022 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.577 ' HG3' ' CE1' ' A' ' 114' ' ' PHE . 98.9 mmm -61.68 -33.45 74.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.69 -64.17 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.532 ' OE1' HD23 ' A' ' 51' ' ' LEU . 1.5 pt20 -55.94 -58.9 5.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.659 HD12 ' O ' ' A' ' 117' ' ' TRP . 8.1 mt -41.64 -29.34 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.405 ' N ' ' C ' ' A' ' 120' ' ' GLN . 0.4 OUTLIER -74.33 -50.2 19.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 120' ' ' GLN . 13.6 ptt180 -73.44 -22.46 60.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.777 HD13 ' HA ' ' A' ' 53' ' ' SER . 12.2 mt -74.22 -76.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 62.0 p -48.47 -51.6 26.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.369 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 123' ' ' ARG . 1.2 mttm . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -120.94 158.68 51.74 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 159.28 41.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.965 ' CD1' HD21 ' A' ' 59' ' ' LEU . 4.4 mt -85.88 159.14 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.451 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 7.9 tt0 -94.93 131.29 41.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 69.1 39.71 1.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.563 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 75.9 t-105 -82.18 -40.98 20.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 108.008 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 72.85 165.67 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 20' ' ' ASP . . . -48.7 125.15 13.49 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 0.5 OUTLIER 161.84 154.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 0.787 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.928 ' O ' HG22 ' A' ' 24' ' ' THR . 3.2 m-20 -98.9 107.46 19.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.563 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 9.2 tt -71.06 -12.51 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.54 ' HE3' HG23 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -92.61 -7.36 47.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.928 HG22 ' O ' ' A' ' 21' ' ' ASP . 4.9 t -86.29 -25.03 25.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 110.352 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.559 HD22 ' CG1' ' A' ' 55' ' ' VAL . 93.3 mt -72.87 -93.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 178.86 171.98 42.69 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.459 1.099 . . . . 0.0 111.04 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -66.94 167.29 11.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 0.744 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.457 HG22 ' CE1' ' A' ' 52' ' ' PHE . 79.3 t -83.76 99.6 6.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.761 HD11 ' CB ' ' A' ' 53' ' ' SER . 70.7 mt -54.95 -78.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.64 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -135.11 123.39 23.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.428 ' O ' ' HG3' ' A' ' 31' ' ' MET . 0.0 OUTLIER -122.79 148.21 45.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -163.91 172.21 14.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.036 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -94.79 105.51 17.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.513 HG21 HG13 ' A' ' 106' ' ' VAL . 20.3 m -111.87 176.35 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.528 HG13 ' H ' ' A' ' 45' ' ' GLU . 2.3 t -125.19 112.26 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.733 ' HG3' HG23 ' A' ' 104' ' ' ILE . 2.8 tmm? -130.84 125.39 33.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.454 ' HB3' ' CG ' ' A' ' 45' ' ' GLU . 9.1 pt20 -129.09 173.09 10.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -81.39 -62.58 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.598 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -160.55 -70.85 0.02 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.523 1.139 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -143.65 112.18 6.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -130.24 -74.34 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 108.315 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.42 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 1.1 mm-40 -139.63 -80.14 0.3 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 3.9 mm-40 -137.34 -168.79 2.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.257 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -43.78 148.63 0.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.528 ' H ' HG13 ' A' ' 35' ' ' VAL . 66.2 mm-40 -117.55 83.07 1.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.504 ' CD ' ' CG2' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -70.34 129.73 40.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -143.51 153.79 42.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.241 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -103.72 107.69 18.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.633 ' CE1' HD11 ' A' ' 56' ' ' LEU . 2.4 m-30 -94.94 125.41 39.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.995 HD11 HD22 ' A' ' 59' ' ' LEU . 1.8 mt -117.75 113.64 22.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.601 HD22 ' CZ3' ' A' ' 117' ' ' TRP . 5.5 tp -84.89 102.6 13.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.585 ' CE2' HG13 ' A' ' 57' ' ' ILE . 4.8 m-30 -84.51 2.86 39.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.761 ' CB ' HD11 ' A' ' 29' ' ' ILE . 1.1 p 74.32 43.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.05 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.4 t 173.81 -30.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.559 ' CG1' HD22 ' A' ' 25' ' ' LEU . 2.6 p -148.24 142.35 19.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.778 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.2 tm? -91.37 95.45 10.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.585 HG13 ' CE2' ' A' ' 52' ' ' PHE . 37.7 mm -76.51 131.13 35.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.68 ' O ' HD12 ' A' ' 59' ' ' LEU . 11.4 mtm -114.09 125.81 54.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.995 HD22 HD11 ' A' ' 50' ' ' LEU . 5.1 mp -121.71 159.05 27.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 p -152.2 135.07 15.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -96.09 98.93 10.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.35 163.51 26.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 67.34 5.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -128.86 -59.7 1.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.1 ttp -174.35 150.02 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.8 t -39.16 147.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 118.76 -176.97 16.29 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.12 . . . . 0.0 111.024 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.769 ' CD2' HD23 ' A' ' 59' ' ' LEU . 21.0 m-30 -117.28 151.61 36.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 111.014 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 16.0 ttt -118.34 116.91 27.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.468 ' OH ' ' CG ' ' A' ' 73' ' ' LYS . 11.7 t80 -68.87 134.61 49.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -134.53 78.65 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 74.11 166.67 14.68 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.468 ' CG ' ' OH ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -144.05 141.83 30.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 109.289 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.64 HD11 ' CD1' ' A' ' 104' ' ' ILE . 2.8 mt -113.68 121.58 36.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 129.12 12.03 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.498 1.788 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.852 HD13 ' SD ' ' A' ' 79' ' ' MET . 21.7 mm -58.64 -18.07 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.43 -68.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -78.25 3.52 62.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.454 1.096 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.852 ' SD ' HD13 ' A' ' 76' ' ' ILE . 21.7 ttm -73.44 134.55 43.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 0.737 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.1 t -122.94 106.68 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.804 HG21 HD22 ' A' ' 121' ' ' LEU . 5.0 t -101.84 153.98 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 54.4 p30 175.33 160.78 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -90.77 25.69 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' A' ' 94' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.423 ' O ' ' CE1' ' A' ' 114' ' ' PHE . 98.4 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -137.98 179.82 6.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.679 ' HA ' HD12 ' A' ' 84' ' ' LEU . 3.5 p90 -155.5 168.18 27.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.985 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.579 ' HG3' HG23 ' A' ' 97' ' ' THR . 4.2 pt-20 -118.98 142.47 47.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.616 HD11 ' HE2' ' A' ' 94' ' ' PHE . 4.0 mt -119.27 91.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.601 HG22 ' HA ' ' A' ' 103' ' ' ARG . 73.1 p -96.25 -175.9 3.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.371 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 154.18 -21.85 0.66 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.427 ' O ' ' HB ' ' A' ' 100' ' ' THR . 0.1 OUTLIER -71.47 -67.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 110.009 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.556 ' O ' HG23 ' A' ' 101' ' ' VAL . 0.1 OUTLIER 175.15 -34.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.433 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.579 ' O ' ' C ' ' A' ' 102' ' ' GLU . 54.7 t -157.32 -42.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.579 ' C ' ' O ' ' A' ' 101' ' ' VAL . 25.1 tt0 -22.69 -66.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.34 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.601 ' HA ' HG22 ' A' ' 97' ' ' THR . 11.7 ttm180 66.13 140.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.733 HG23 ' HG3' ' A' ' 36' ' ' MET . 6.5 mt -116.39 127.44 74.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.5 t -104.98 97.21 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.513 HG13 HG21 ' A' ' 34' ' ' VAL . 22.0 t -83.4 118.61 31.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -90.24 121.41 32.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.597 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 19.2 m -113.94 173.59 6.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.276 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -146.07 -48.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.253 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.47 174.98 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -117.42 -55.39 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -61.66 2.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.06 -59.64 4.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.423 ' CE1' ' O ' ' A' ' 92' ' ' CYS . 65.2 t80 -41.74 -55.81 2.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -45.68 -61.36 1.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.261 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.553 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -38.39 -59.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 110.273 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.64 ' CZ2' ' O ' ' A' ' 30' ' ' PHE . 38.8 m95 -42.52 -51.33 5.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 107.974 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.41 ' SD ' ' CZ ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -59.25 -42.23 90.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -68.95 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.428 ' O ' ' HG ' ' A' ' 124' ' ' LEU . 0.6 OUTLIER -48.18 -59.34 3.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 110.28 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.804 HD22 HG21 ' A' ' 81' ' ' VAL . 12.1 mt -44.78 -55.08 5.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 121' ' ' LEU . 0.3 OUTLIER -39.06 -32.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.507 ' HG2' HD23 ' A' ' 124' ' ' LEU . 9.9 ttm105 -92.34 -59.78 2.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.345 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.706 HD13 ' HA ' ' A' ' 53' ' ' SER . 6.7 mt -45.73 -54.77 7.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.579 HG21 ' CG2' ' A' ' 81' ' ' VAL . 11.0 p -88.78 38.29 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.429 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -76.46 152.93 83.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 140.8 25.8 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 111.008 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.594 HD13 HD21 ' A' ' 59' ' ' LEU . 6.4 mt -83.97 137.44 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.421 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 4.6 tt0 -75.16 138.66 42.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 67.88 20.59 9.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.527 ' CZ2' HD12 ' A' ' 22' ' ' ILE . 73.6 t-105 -84.11 93.89 8.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 108.017 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.32 149.34 40.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.59 -65.77 0.59 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -177.7 -167.08 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 0.739 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.552 ' CB ' HG23 ' A' ' 24' ' ' THR . 1.1 m-20 -68.58 154.09 42.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.527 HD12 ' CZ2' ' A' ' 17' ' ' TRP . 9.5 tt -83.98 -27.68 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.51 -19.82 65.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.552 HG23 ' CB ' ' A' ' 21' ' ' ASP . 19.3 p -70.08 -25.67 63.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.414 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 70.1 mt -80.67 -71.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.83 -139.44 5.79 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.458 1.099 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.53 -167.79 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.806 HG22 ' CE1' ' A' ' 52' ' ' PHE . 78.0 t -113.54 104.2 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.58 HD11 ' HB3' ' A' ' 53' ' ' SER . 25.8 mt -55.91 -76.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.6 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -132.05 124.78 29.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.9 ptm -122.25 135.47 54.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.0 p -161.36 160.41 29.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.949 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -82.47 107.14 14.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.58 ' HB ' HG13 ' A' ' 106' ' ' VAL . 27.5 m -105.52 174.47 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.507 ' CG2' ' CD ' ' A' ' 46' ' ' GLU . 1.4 t -126.66 106.66 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.441 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 1.7 tmm? -127.62 121.64 31.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.449 ' CG ' ' HG3' ' A' ' 45' ' ' GLU . 21.3 tm0? -128.79 149.23 50.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.599 ' CG ' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -46.93 -88.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.64 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.599 ' N ' ' CG ' ' A' ' 38' ' ' HIS . . . -167.17 90.83 0.1 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 39' ' ' GLY . . . 76.58 120.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.404 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -170.18 -153.67 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 108.319 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -53.94 -82.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -142.32 -174.57 4.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -44.45 159.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.449 ' HG3' ' CG ' ' A' ' 37' ' ' GLN . 17.4 mt-10 -121.8 80.99 1.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.507 ' CD ' ' CG2' ' A' ' 35' ' ' VAL . 0.6 OUTLIER -66.91 130.08 41.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.9 mtm-85 -149.29 178.26 8.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -121.15 129.01 53.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.565 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 2.3 m-30 -116.55 114.07 23.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.682 HD11 HD22 ' A' ' 59' ' ' LEU . 1.2 mt -103.58 111.27 23.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.699 HD11 HD11 ' A' ' 76' ' ' ILE . 8.5 tp -88.82 111.95 22.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.806 ' CE1' HG22 ' A' ' 28' ' ' VAL . 8.0 m-30 -94.4 3.71 54.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.764 ' HA ' HD13 ' A' ' 124' ' ' LEU . 1.0 OUTLIER 75.0 37.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.043 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.69 -30.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 110.031 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.7 p -142.83 148.32 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.818 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.0 tm? -104.72 93.96 5.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.614 HG13 ' CE2' ' A' ' 52' ' ' PHE . 8.6 mm -77.04 126.07 37.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.664 ' O ' HD12 ' A' ' 59' ' ' LEU . 27.4 mtm -109.97 131.93 54.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.682 HD22 HD11 ' A' ' 50' ' ' LEU . 3.9 mp -123.61 160.77 26.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.6 m -137.59 130.97 30.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.07 -172.12 2.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.471 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.1 OUTLIER 172.92 -54.61 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.988 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.2 Cg_endo -74.95 -178.48 4.18 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.86 74.86 1.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 169.72 -35.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.09 -178.62 5.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.997 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.92 -125.91 3.3 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.574 1.171 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -131.69 155.36 47.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.783 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.413 ' O ' ' HA ' ' A' ' 59' ' ' LEU . 10.8 ttt -115.64 129.04 56.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -87.18 142.7 27.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 111.068 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -115.53 -72.09 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -138.76 179.32 18.62 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.0 pttt -145.72 134.52 22.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.669 HD11 HD12 ' A' ' 104' ' ' ILE . 9.4 mt -115.4 123.94 30.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 127.04 10.38 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.456 1.767 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.699 HD11 HD11 ' A' ' 51' ' ' LEU . 22.1 mm -46.03 -28.53 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.28 -72.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.37 -18.32 55.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.548 1.155 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.696 ' SD ' HD13 ' A' ' 76' ' ' ILE . 12.8 ttm -57.61 137.86 55.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 0.774 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.3 t -132.36 114.81 24.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.475 HG21 HD22 ' A' ' 121' ' ' LEU . 2.6 t -114.21 146.76 18.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.56 ' O ' ' C ' ' A' ' 83' ' ' ARG . 45.1 m-20 -170.59 39.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.56 ' C ' ' O ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER 25.15 49.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.516 ' CD2' ' C ' ' A' ' 94' ' ' PHE . 1.3 mm? . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 171.44 158.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.516 ' C ' ' CD2' ' A' ' 84' ' ' LEU . 16.2 p90 -148.6 168.97 21.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.573 ' HG3' HG23 ' A' ' 97' ' ' THR . 4.4 pt-20 -125.69 154.14 42.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.526 HG23 ' HG3' ' A' ' 79' ' ' MET . 60.0 mt -125.65 91.11 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.573 HG23 ' HG3' ' A' ' 95' ' ' GLU . 62.3 p -99.22 -178.2 3.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.399 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -158.83 -76.36 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.0 t -144.36 31.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 109.997 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.1 p -136.27 -172.43 3.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 102' ' ' GLU . 10.6 m -115.29 -29.3 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 101' ' ' VAL . 0.1 OUTLIER -38.48 -46.35 1.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.438 ' HA ' HG22 ' A' ' 97' ' ' THR . 17.8 ttm105 61.53 135.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.669 HD12 HD11 ' A' ' 74' ' ' ILE . 4.2 mt -99.39 107.9 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.5 t -94.54 98.25 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.58 HG13 ' HB ' ' A' ' 34' ' ' VAL . 14.4 t -85.17 110.35 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -71.3 126.25 29.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.602 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 30.7 p -50.4 158.95 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 108.303 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.422 ' O ' ' ND2' ' A' ' 110' ' ' ASN . 44.7 t-20 -130.35 -45.96 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 1.6 m-80 -154.35 141.36 19.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 112' ' ' GLN . 0.6 OUTLIER -48.77 -71.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.44 ' NE2' ' OD1' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -36.43 -68.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.453 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -48.22 -64.08 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -40.27 -63.44 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -40.49 -53.7 2.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.443 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -49.05 -60.58 2.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.695 ' O ' HD12 ' A' ' 121' ' ' LEU . 44.3 m95 -43.84 -52.1 6.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 108.036 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.471 ' CE ' ' HB3' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -59.54 -43.74 93.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 110.979 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -68.25 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.501 ' OE1' ' CG2' ' A' ' 29' ' ' ILE . 9.0 pt20 -51.82 -56.93 10.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.695 HD12 ' O ' ' A' ' 117' ' ' TRP . 8.6 mt -45.29 -53.52 8.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -41.0 -29.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.44 ' CZ ' ' HB2' ' A' ' 123' ' ' ARG . 11.9 ttm105 -96.64 -59.37 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.764 HD13 ' HA ' ' A' ' 53' ' ' SER . 9.3 mt -42.67 -56.73 3.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 60.6 p -67.77 -42.94 80.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -77.11 157.56 81.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 125.62 9.48 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.886 ' CD1' HD21 ' A' ' 59' ' ' LEU . 4.3 mt -71.25 124.01 26.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.722 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 4.1 tt0 -57.75 138.38 55.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.722 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 86.5 -39.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.581 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 31.8 t-105 -40.2 111.87 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 20' ' ' ASP . 29.8 mt-10 -70.76 164.69 24.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.258 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -50.87 93.05 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.128 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.0 t0 -165.17 169.11 16.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.845 ' O ' HG22 ' A' ' 24' ' ' THR . 51.4 m-20 -103.5 124.55 48.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.72 HG22 ' HD2' ' A' ' 23' ' ' LYS . 11.9 tt -84.16 -16.65 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.176 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.72 ' HD2' HG22 ' A' ' 22' ' ' ILE . 0.9 OUTLIER -91.51 -2.73 57.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.845 HG22 ' O ' ' A' ' 21' ' ' ASP . 5.1 t -89.47 -19.4 25.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 110.4 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 81.6 mt -70.68 -76.62 0.1 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.32 -118.46 0.48 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -150.22 134.81 17.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.789 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.791 HG22 ' HE1' ' A' ' 52' ' ' PHE . 64.9 t -60.29 92.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.253 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.718 HG22 ' N ' ' A' ' 30' ' ' PHE . 8.9 mt -55.08 -79.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.718 ' N ' HG22 ' A' ' 29' ' ' ILE . 14.2 t80 -131.39 126.25 34.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.4 ptm -126.22 142.86 51.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.8 t -161.06 160.93 31.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.986 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -76.85 106.25 8.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.432 ' HB ' HG13 ' A' ' 106' ' ' VAL . 22.8 m -108.27 173.1 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.504 ' CG2' ' CD ' ' A' ' 46' ' ' GLU . 2.1 t -124.54 110.81 26.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.5 ' HE2' ' CZ ' ' A' ' 49' ' ' PHE . 2.4 tmm? -132.22 125.95 32.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.88 163.38 13.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -80.37 -76.3 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.608 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.66 97.24 0.11 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 52.59 97.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.323 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.48 -75.34 0.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 108.265 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.407 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -143.47 -81.92 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.407 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 5.2 mm-40 -137.5 -168.89 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -43.5 148.55 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.172 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 36' ' ' MET . 42.9 mm-40 -121.82 88.12 2.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.504 ' CD ' ' CG2' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -69.62 138.43 53.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -157.62 172.13 19.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -115.58 131.52 56.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.675 ' C ' HD23 ' A' ' 50' ' ' LEU . 2.0 m-30 -118.82 123.5 44.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.815 HD11 HD22 ' A' ' 59' ' ' LEU . 0.5 OUTLIER -112.12 118.94 36.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.882 HD11 HD11 ' A' ' 76' ' ' ILE . 8.8 tp -95.36 115.95 28.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.791 ' HE1' HG22 ' A' ' 28' ' ' VAL . 8.1 m-30 -96.16 4.52 52.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.54 ' CB ' HD11 ' A' ' 29' ' ' ILE . 0.9 OUTLIER 76.27 33.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.38 -32.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.8 p -138.74 144.38 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.763 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.4 tm? -100.32 94.1 6.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.593 HG13 ' CE2' ' A' ' 52' ' ' PHE . 14.8 mm -76.12 133.42 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.582 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 30.8 mtm -118.24 130.69 56.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.886 HD21 ' CD1' ' A' ' 14' ' ' ILE . 2.8 mp -118.63 161.11 20.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.47 118.85 8.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.95 112.26 13.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.16 171.44 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.012 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 50.9 2.62 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.452 1.764 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 65' ' ' MET . 0.0 OUTLIER 173.04 37.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.427 ' HG3' ' N ' ' A' ' 66' ' ' SER . 13.7 ptm 37.13 -157.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.427 ' N ' ' HG3' ' A' ' 65' ' ' MET . 0.6 OUTLIER 64.64 114.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.965 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 58.15 153.85 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.13 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -111.0 163.17 14.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.408 ' O ' ' HA ' ' A' ' 59' ' ' LEU . 10.4 ttt -119.77 128.77 54.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.444 ' CD1' ' CE3' ' A' ' 17' ' ' TRP . 28.3 t80 -87.49 119.7 28.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -86.99 -69.61 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.241 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -148.62 -179.54 24.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -134.49 139.17 45.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.746 . . . . 0.0 109.264 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.684 HD11 HD12 ' A' ' 104' ' ' ILE . 8.5 mt -119.89 122.98 28.71 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 129.44 12.39 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.489 1.784 . . . . 0.0 111.032 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.882 HD11 HD11 ' A' ' 51' ' ' LEU . 28.9 mm -56.52 -22.9 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.85 -75.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.87 -15.48 62.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.567 1.167 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.706 ' SD ' HD13 ' A' ' 76' ' ' ILE . 6.4 ttm -54.37 135.36 45.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 0.765 . . . . 0.0 110.958 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.0 t -123.51 108.17 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.588 HG21 HD22 ' A' ' 121' ' ' LEU . 3.7 t -115.48 144.18 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.4 p30 178.11 133.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 84' ' ' LEU . 1.7 ttt180 -40.85 99.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.658 HD11 ' HB3' ' A' ' 95' ' ' GLU . 11.7 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.517 ' O ' ' CZ ' ' A' ' 114' ' ' PHE . 27.0 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.609 ' CE ' HD13 ' A' ' 84' ' ' LEU . 8.6 ptt? -110.48 -172.43 2.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.428 ' CD2' ' SD ' ' A' ' 118' ' ' MET . 21.8 p90 -156.81 158.27 36.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.658 ' HB3' HD11 ' A' ' 84' ' ' LEU . 22.6 pt-20 -113.13 168.4 9.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.0 mt -131.61 91.69 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.965 HG22 ' HA ' ' A' ' 103' ' ' ARG . 70.6 p -106.03 179.71 4.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.385 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.2 -77.09 0.21 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 83.0 p -178.17 37.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 109.967 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.638 HG22 ' N ' ' A' ' 101' ' ' VAL . 8.5 m -159.96 -105.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.784 ' O ' HG12 ' A' ' 101' ' ' VAL . 30.8 t -140.06 56.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.584 ' CG ' ' O ' ' A' ' 102' ' ' GLU . 9.3 tt0 -118.63 14.43 13.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.965 ' HA ' HG22 ' A' ' 97' ' ' THR . 42.7 ttm180 -41.56 130.9 3.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.684 HD12 HD11 ' A' ' 74' ' ' ILE . 1.8 mt -128.99 109.61 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 25.0 t -89.06 99.27 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.432 HG13 ' HB ' ' A' ' 34' ' ' VAL . 24.0 t -87.71 114.94 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.152 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -91.82 165.27 13.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.547 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 175.61 151.58 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 108.276 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -109.08 -51.58 2.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.335 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -46.58 169.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -118.11 -50.15 2.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.86 -60.42 2.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.68 -61.09 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.577 ' CZ ' ' HG3' ' A' ' 118' ' ' MET . 34.5 t80 -44.71 -52.13 8.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -43.0 -66.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.5 OUTLIER -38.25 -61.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.619 ' HE3' HD11 ' A' ' 121' ' ' LEU . 60.6 m95 -44.17 -53.14 6.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 108.013 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.577 ' HG3' ' CZ ' ' A' ' 114' ' ' PHE . 94.3 mmm -64.97 -28.04 69.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.127 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -71.57 -55.25 8.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.334 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 123' ' ' ARG . 8.2 pt20 -64.86 -58.67 5.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.619 HD11 ' HE3' ' A' ' 117' ' ' TRP . 9.2 mt -46.87 -25.29 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.3 OUTLIER -68.15 -41.84 80.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.472 ' HG3' ' N ' ' A' ' 124' ' ' LEU . 4.5 ptm180 -91.77 -37.9 12.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.814 HD12 HD21 ' A' ' 51' ' ' LEU . 28.5 mt -55.23 -70.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 125' ' ' THR . 19.2 p -62.98 -46.35 88.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.378 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.8 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -41.76 155.43 0.23 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 155.47 43.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.525 1.802 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 1.017 HD13 HD21 ' A' ' 59' ' ' LEU . 7.3 mt -74.0 131.69 34.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 17' ' ' TRP . 5.4 tt0 -58.46 146.43 35.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 110.333 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.535 ' O ' ' C ' ' A' ' 17' ' ' TRP . . . 68.4 -67.19 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.754 ' CZ2' HD12 ' A' ' 22' ' ' ILE . 26.1 t-105 31.9 84.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' ASP . 3.4 mt-10 -38.25 146.68 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.56 95.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 18' ' ' GLU . 0.7 OUTLIER 177.97 151.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.417 ' HB2' ' CG2' ' A' ' 24' ' ' THR . 90.2 m-20 -91.0 145.56 24.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.754 HD12 ' CZ2' ' A' ' 17' ' ' TRP . 2.8 tt -95.35 -18.06 6.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -84.41 -10.28 57.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.417 ' CG2' ' HB2' ' A' ' 21' ' ' ASP . 10.7 p -86.27 -27.08 24.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.43 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.409 HD22 HG11 ' A' ' 55' ' ' VAL . 41.8 mt -75.52 -89.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.14 165.98 30.08 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -53.71 173.69 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.76 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.779 HG22 ' CE1' ' A' ' 52' ' ' PHE . 86.7 t -97.41 103.37 14.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.646 HD11 ' CB ' ' A' ' 53' ' ' SER . 18.9 mt -43.37 -77.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 109.343 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.612 ' N ' HG22 ' A' ' 29' ' ' ILE . 87.9 t80 -144.01 121.39 11.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.6 149.05 38.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.2 m -161.52 151.89 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.981 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -72.1 103.73 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.241 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.44 ' HB ' HG13 ' A' ' 106' ' ' VAL . 11.7 m -105.86 178.2 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.505 ' CG2' ' CD ' ' A' ' 46' ' ' GLU . 1.4 t -132.35 115.33 25.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.112 . . . . 0.0 109.242 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.445 ' HE2' ' CZ ' ' A' ' 49' ' ' PHE . 1.4 tmm? -134.53 117.14 15.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -124.78 -173.97 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.557 ' CD2' ' HB2' ' A' ' 41' ' ' CYS . 0.9 OUTLIER -112.63 -163.03 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.572 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 38' ' ' HIS . . . -37.58 -71.58 0.2 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.442 1.089 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -140.87 99.41 3.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.775 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.557 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . 0.5 OUTLIER -115.38 51.99 0.9 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 108.291 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 65.5 -75.96 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 41' ' ' CYS . 11.3 mt-10 -139.53 177.25 8.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.415 ' HB2' HG11 ' A' ' 35' ' ' VAL . 3.9 pttt -40.85 154.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 36' ' ' MET . 27.2 mm-40 -118.69 86.36 2.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.505 ' CD ' ' CG2' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -61.76 122.22 14.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.345 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -142.18 176.33 9.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.42 ' HD2' HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -123.69 131.24 53.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.781 ' C ' HD23 ' A' ' 50' ' ' LEU . 2.4 m-30 -116.16 123.42 47.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.781 HD23 ' C ' ' A' ' 49' ' ' PHE . 0.8 OUTLIER -110.22 119.21 38.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.581 HD22 HE21 ' A' ' 120' ' ' GLN . 6.1 tp -95.7 114.94 26.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.779 ' CE1' HG22 ' A' ' 28' ' ' VAL . 9.1 m-30 -98.01 4.43 49.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.646 ' CB ' HD11 ' A' ' 29' ' ' ILE . 1.1 p 73.91 41.29 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.995 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.58 -28.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 110.014 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.409 HG11 HD22 ' A' ' 25' ' ' LEU . 3.3 p -142.09 140.08 29.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.859 HD13 ' O ' ' A' ' 56' ' ' LEU . 1.7 tm? -100.98 94.04 5.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.654 HG13 ' CE2' ' A' ' 52' ' ' PHE . 4.7 mm -79.41 133.39 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.572 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 25.6 mtm -114.49 125.92 54.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 1.017 HD21 HD13 ' A' ' 14' ' ' ILE . 1.0 OUTLIER -115.23 162.41 17.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.0 118.49 9.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.995 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.56 44.97 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.474 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -59.09 -53.18 68.93 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 62' ' ' SER . 18.3 Cg_endo -75.01 106.94 2.37 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.536 1.808 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.42 125.03 22.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.416 ' O ' ' CB ' ' A' ' 66' ' ' SER . 9.1 tpt 59.0 86.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 65' ' ' MET . 3.9 t 165.13 60.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 44.97 -170.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 111.052 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -106.81 145.49 32.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.429 ' O ' ' HA ' ' A' ' 59' ' ' LEU . 26.5 ttt -100.19 149.7 23.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.438 ' HA ' HD12 ' A' ' 59' ' ' LEU . 9.9 t80 -106.71 132.87 52.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -103.99 -69.72 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.172 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -146.35 172.23 26.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.7 pttt -135.28 142.25 45.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.776 HD12 HD12 ' A' ' 56' ' ' LEU . 3.6 mt -113.35 116.47 46.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.416 ' C ' ' N ' ' A' ' 77' ' ' ALA . 18.3 Cg_endo -74.98 122.29 7.12 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.528 HD12 ' HB2' ' A' ' 124' ' ' LEU . 22.5 mm -40.13 -32.13 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 75' ' ' PRO . . . -63.86 127.35 31.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 77.49 -7.68 38.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.504 ' HE3' HG22 ' A' ' 74' ' ' ILE . 44.2 ttm -67.38 136.76 55.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.769 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.9 t -117.67 112.86 40.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.62 HG21 HD22 ' A' ' 121' ' ' LEU . 3.4 t -114.41 134.19 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 42.9 p30 174.7 147.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 93' ' ' MET . 3.7 mtm180 -57.78 148.87 23.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.597 HD21 ' HB3' ' A' ' 95' ' ' GLU . 2.4 mm? . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.505 ' O ' ' CG ' ' A' ' 93' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.505 ' CG ' ' O ' ' A' ' 92' ' ' CYS . 13.9 ptt? 43.12 -167.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.421 ' HE2' HD11 ' A' ' 96' ' ' ILE . 16.7 p90 -141.32 176.89 8.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.597 ' HB3' HD21 ' A' ' 84' ' ' LEU . 6.3 pt-20 -132.95 140.49 47.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.471 HD12 ' HE2' ' A' ' 49' ' ' PHE . 57.8 mt -109.44 99.65 9.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.49 HG22 ' HA ' ' A' ' 103' ' ' ARG . 31.7 p -115.76 -175.4 2.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 173.08 -104.94 0.2 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 54.6 p -96.23 39.89 1.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 0.782 . . . . 0.0 109.965 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.44 174.59 14.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 41.3 t -115.59 -28.3 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -39.02 -44.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.49 ' HA ' HG22 ' A' ' 97' ' ' THR . 15.2 ttm180 64.31 122.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.334 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.775 ' CD1' HD11 ' A' ' 74' ' ' ILE . 2.8 mt -90.35 110.32 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.437 HG13 ' SD ' ' A' ' 93' ' ' MET . 44.2 t -94.55 97.31 6.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.44 HG13 ' HB ' ' A' ' 34' ' ' VAL . 21.8 t -85.89 112.37 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -70.31 162.94 27.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.654 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.1 t -97.04 125.47 41.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 108.301 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.8 14.52 10.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -177.54 158.26 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -91.17 -51.26 5.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -61.35 2.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.24 -51.73 8.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.499 ' CE2' ' HG3' ' A' ' 118' ' ' MET . 93.4 t80 -49.47 -66.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -38.7 -44.42 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.258 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.29 -55.21 37.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.627 ' O ' HD12 ' A' ' 121' ' ' LEU . 53.9 m95 -54.35 -54.1 44.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 107.945 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.499 ' HG3' ' CE2' ' A' ' 114' ' ' PHE . 95.6 mmm -57.21 -20.39 26.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.47 -63.04 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.581 HE21 HD22 ' A' ' 51' ' ' LEU . 7.6 pt20 -50.95 -47.66 61.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.252 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.627 HD12 ' O ' ' A' ' 117' ' ' TRP . 4.9 mt -57.98 -41.25 82.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -27.88 55.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.654 ' HG2' HD23 ' A' ' 124' ' ' LEU . 12.6 ttt-85 -82.89 -55.4 4.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.256 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.679 HD23 ' N ' ' A' ' 124' ' ' LEU . 1.4 mt -52.75 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.438 ' OG1' ' N ' ' A' ' 126' ' ' LYS . 60.9 p -54.58 -70.68 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.415 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.438 ' N ' ' OG1' ' A' ' 125' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -45.28 152.51 0.62 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 110.332 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 168.81 24.01 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.989 ' CD1' HD21 ' A' ' 59' ' ' LEU . 8.1 mt -87.69 109.6 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.699 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -60.07 151.09 27.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 85.56 -37.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.53 ' CH2' HD12 ' A' ' 22' ' ' ILE . 30.3 t-105 -39.53 100.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -62.33 174.83 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 20' ' ' ASP . . . -54.23 110.67 1.64 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 2.6 m-20 156.21 139.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.665 ' HB2' HG23 ' A' ' 24' ' ' THR . 13.6 m-20 -82.71 152.44 25.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.53 HD12 ' CH2' ' A' ' 17' ' ' TRP . 7.1 tt -84.72 -33.37 8.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.36 -26.54 5.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.665 HG23 ' HB2' ' A' ' 21' ' ' ASP . 33.1 p -61.21 -33.54 73.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.467 HD13 HG11 ' A' ' 55' ' ' VAL . 39.7 mt -77.26 -61.11 2.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 157.86 -141.7 7.96 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.406 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 8.3 m-20 -110.78 -172.42 2.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.763 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.762 HG22 ' HE1' ' A' ' 52' ' ' PHE . 94.0 t -107.94 115.7 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.491 HD11 ' CB ' ' A' ' 53' ' ' SER . 29.1 mt -72.41 -72.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.464 ' N ' HG22 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -126.52 114.4 18.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.826 ' HE2' HD22 ' A' ' 50' ' ' LEU . 38.0 ttm -117.12 126.23 52.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.4 t -160.93 168.88 23.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.016 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -85.87 108.54 18.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.429 ' HB ' HG13 ' A' ' 106' ' ' VAL . 17.4 m -105.89 170.52 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.548 HG22 ' HG3' ' A' ' 46' ' ' GLU . 1.4 t -118.19 110.66 31.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.75 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.5 tmm? -139.27 123.29 17.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.79 -72.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -171.12 -74.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.584 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . 169.62 82.99 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 39' ' ' GLY . . . 66.8 130.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.2 t -178.75 -74.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 108.259 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.425 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 2.3 mp0 -127.15 -73.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.425 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 12.5 mm-40 -142.08 -168.34 2.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.0 ptpp? -84.81 138.2 32.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -103.6 91.72 4.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.548 ' HG3' HG22 ' A' ' 35' ' ' VAL . 11.4 mt-10 -69.07 144.93 53.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.446 ' NH1' ' OG ' ' A' ' 60' ' ' SER . 0.1 OUTLIER -162.79 176.96 9.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.417 ' O ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -114.0 131.55 56.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 111.03 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.677 ' HZ ' HD13 ' A' ' 104' ' ' ILE . 1.3 m-30 -120.19 116.83 26.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.826 HD22 ' HE2' ' A' ' 31' ' ' MET . 0.6 OUTLIER -102.25 110.51 22.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.524 HD22 ' CE3' ' A' ' 117' ' ' TRP . 10.2 tp -85.77 108.52 18.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.762 ' HE1' HG22 ' A' ' 28' ' ' VAL . 7.9 m-30 -91.62 -3.82 55.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.865 ' HA ' HD13 ' A' ' 124' ' ' LEU . 0.3 OUTLIER 83.93 -13.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.031 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.27 7.9 2.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.042 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.516 HG21 ' HD2' ' A' ' 73' ' ' LYS . 6.8 p -177.88 146.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.788 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.3 tm? -109.03 94.34 4.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.595 HG13 ' CE2' ' A' ' 52' ' ' PHE . 7.0 mm -77.36 133.52 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.587 ' O ' HD12 ' A' ' 59' ' ' LEU . 8.2 mtm -114.95 128.17 56.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.989 HD21 ' CD1' ' A' ' 14' ' ' ILE . 2.1 mp -118.31 155.63 30.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.446 ' OG ' ' NH1' ' A' ' 47' ' ' ARG . 2.2 m -131.9 136.35 47.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.016 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -126.56 98.45 5.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.372 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 p -56.07 159.85 5.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.024 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 58.08 4.75 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 177.25 168.61 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.494 ' O ' ' CB ' ' A' ' 66' ' ' SER . 8.1 tpt -40.8 120.6 1.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 65' ' ' MET . 2.7 t 159.41 123.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 66' ' ' SER . . . -60.4 -133.58 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.745 ' HD2' HD23 ' A' ' 59' ' ' LEU . 13.8 m-30 -109.57 141.15 42.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 0.0 111.012 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.2 ttt -118.49 115.0 23.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.481 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 54.2 t80 -66.74 134.8 52.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -145.95 97.39 2.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.344 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 69.1 159.11 1.78 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.142 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.516 ' HD2' HG21 ' A' ' 55' ' ' VAL . 15.7 pttt -147.82 128.92 14.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.745 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.844 HD11 HD12 ' A' ' 104' ' ' ILE . 7.7 mt -98.13 109.77 53.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 130.98 13.76 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.531 1.806 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.844 HD13 ' SD ' ' A' ' 79' ' ' MET . 30.6 mm -49.39 -28.27 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.64 -64.64 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.425 ' O ' ' CA ' ' A' ' 98' ' ' GLY . . . -85.2 13.43 54.81 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.476 1.11 . . . . 0.0 111.043 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.844 ' SD ' HD13 ' A' ' 76' ' ' ILE . 35.5 ttm -82.29 125.54 31.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 111.049 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.8 t -114.18 108.15 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.732 HG21 HD22 ' A' ' 121' ' ' LEU . 3.9 t -108.53 143.63 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -175.53 165.85 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -90.49 33.48 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 48.1 mtm 59.59 176.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.49 ' HE2' HD11 ' A' ' 96' ' ' ILE . 6.8 p90 -141.5 157.13 45.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.48 ' HB2' ' CG ' ' A' ' 103' ' ' ARG . 5.9 pt-20 -112.3 155.63 23.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.66 HG22 HD13 ' A' ' 74' ' ' ILE . 24.7 mt -129.42 99.52 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.798 HG22 ' HA ' ' A' ' 103' ' ' ARG . 52.6 p -115.12 -175.62 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.425 ' CA ' ' O ' ' A' ' 78' ' ' GLY . . . 154.93 -38.61 0.64 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.58 ' O ' HG23 ' A' ' 100' ' ' THR . 0.1 OUTLIER -52.13 -75.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 110.025 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 99' ' ' SER . 6.5 p -157.48 -78.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.436 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 14.2 m -117.24 -7.65 11.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -66.38 149.7 50.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.798 ' HA ' HG22 ' A' ' 97' ' ' THR . 22.6 ttm180 -141.71 138.2 32.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.844 HD12 HD11 ' A' ' 74' ' ' ILE . 2.5 mt -109.84 112.94 42.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.2 t -94.61 98.01 7.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.429 HG13 ' HB ' ' A' ' 34' ' ' VAL . 14.7 t -87.8 124.72 41.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -85.3 122.64 29.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.626 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 114' ' ' PHE . 32.1 p -52.24 133.28 34.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 108.294 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -91.57 -48.33 6.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.472 ' O ' ' CB ' ' A' ' 114' ' ' PHE . 0.5 OUTLIER -149.98 158.69 44.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.69 -64.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.25 -68.01 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.82 -62.5 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 108' ' ' CYS . 88.0 t80 -45.71 -66.29 0.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 111.007 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -42.2 -46.84 4.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.251 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.01 -61.87 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.817 ' O ' HD12 ' A' ' 121' ' ' LEU . 61.1 m95 -43.7 -53.31 5.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 108.034 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 1.1 mtp -59.45 -38.05 79.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.04 -69.67 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -55.1 12.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.817 HD12 ' O ' ' A' ' 117' ' ' TRP . 5.7 mt -47.13 -51.97 16.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.432 ' O ' ' CG ' ' A' ' 126' ' ' LYS . 0.3 OUTLIER -45.8 -27.81 0.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.447 ' NH1' ' HB2' ' A' ' 123' ' ' ARG . 11.1 ttm105 -94.29 -58.2 2.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.865 HD13 ' HA ' ' A' ' 53' ' ' SER . 9.5 mt -38.16 -69.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 50.4 p -52.6 -48.71 66.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.415 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.432 ' CG ' ' O ' ' A' ' 122' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -57.8 157.04 16.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 176.0 10.46 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.465 1.771 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.802 ' CD1' HD21 ' A' ' 59' ' ' LEU . 4.2 mt -84.49 159.08 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.556 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 8.0 tt0 -104.03 134.94 46.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 75.8 33.23 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.583 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 60.0 t-105 -89.7 119.49 30.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 107.971 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' ASP . 55.9 mt-10 -57.02 166.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.13 76.41 0.05 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 18' ' ' GLU . 8.1 p-10 -160.32 170.51 20.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 0.785 . . . . 0.0 109.245 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.906 ' O ' HG22 ' A' ' 24' ' ' THR . 1.0 OUTLIER -103.5 139.82 38.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.583 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 5.8 tt -80.41 -27.68 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -81.42 -5.25 57.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.906 HG22 ' O ' ' A' ' 21' ' ' ASP . 2.4 t -87.57 -27.55 22.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.9 mt -72.39 -67.82 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.24 156.43 10.71 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.465 1.103 . . . . 0.0 111.026 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 -57.71 155.59 9.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 0.768 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.868 HG22 ' CE1' ' A' ' 52' ' ' PHE . 95.8 t -82.37 108.5 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.675 HD11 ' CB ' ' A' ' 53' ' ' SER . 35.0 mt -59.97 -74.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.565 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.3 OUTLIER -125.43 122.02 35.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 111.024 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.609 ' HE2' HD22 ' A' ' 50' ' ' LEU . 37.4 ttm -122.63 117.64 26.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.82 171.68 15.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.017 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -94.32 107.1 19.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.355 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.484 ' HB ' ' CG1' ' A' ' 106' ' ' VAL . 10.6 m -109.9 178.17 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.506 ' CG2' ' CD ' ' A' ' 46' ' ' GLU . 1.6 t -126.08 113.68 35.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.701 ' HG3' HG23 ' A' ' 104' ' ' ILE . 2.8 tmm? -133.64 126.17 30.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.11 -179.48 4.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.685 ' CE1' ' HB3' ' A' ' 40' ' ' ALA . 14.2 p80 -101.67 -161.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.586 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.82 59.09 0.51 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.685 ' HB3' ' CE1' ' A' ' 38' ' ' HIS . . . -176.82 107.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 0.742 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.47 ' O ' ' O ' ' A' ' 42' ' ' GLU . 0.8 OUTLIER -46.99 -91.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 108.314 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER 44.3 99.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.292 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 42' ' ' GLU . 9.0 pt-20 45.5 -172.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.338 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.5 pttm -105.84 143.33 34.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 36' ' ' MET . 56.5 mm-40 -104.1 89.74 3.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.506 ' CD ' ' CG2' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -73.01 131.16 41.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -150.82 152.7 34.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -97.2 121.4 39.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.602 ' C ' HD23 ' A' ' 50' ' ' LEU . 1.7 m-30 -107.18 114.86 29.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.65 HD11 HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -105.46 110.77 23.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.881 HD11 HD11 ' A' ' 76' ' ' ILE . 6.7 tp -89.36 108.7 19.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.868 ' CE1' HG22 ' A' ' 28' ' ' VAL . 7.9 m-30 -90.88 4.3 52.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.745 ' HA ' HD13 ' A' ' 124' ' ' LEU . 1.0 OUTLIER 74.55 36.01 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.033 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.7 t -179.09 -32.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.016 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.445 HG21 ' CD ' ' A' ' 73' ' ' LYS . 7.1 p -141.5 147.96 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.681 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.7 tm? -102.98 94.17 5.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.606 HG13 ' CE2' ' A' ' 52' ' ' PHE . 14.2 mm -77.53 124.09 35.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.249 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.684 ' O ' HD12 ' A' ' 59' ' ' LEU . 39.9 mtm -108.73 134.48 51.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.802 HD21 ' CD1' ' A' ' 14' ' ' ILE . 5.4 mp -123.55 159.37 29.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 p -139.26 127.14 22.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -101.03 95.15 6.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.82 167.95 0.25 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 56.05 4.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.765 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -179.99 116.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.42 ' O ' ' HG3' ' A' ' 65' ' ' MET . 2.1 ptm -38.89 117.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 65' ' ' MET . 3.2 t 178.95 73.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.036 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 66' ' ' SER . . . 37.05 -153.44 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.5 ' CB ' HD23 ' A' ' 59' ' ' LEU . 31.0 m-85 -112.12 169.28 8.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 0.761 . . . . 0.0 110.954 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.0 ttt -133.39 124.09 26.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -76.2 118.14 18.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -94.94 -60.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 110.274 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.48 ' O ' ' CE ' ' A' ' 58' ' ' MET . . . -156.73 160.6 30.42 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.445 ' CD ' HG21 ' A' ' 55' ' ' VAL . 1.1 pttp -126.87 150.73 49.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 0.724 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.682 ' HB ' ' HE1' ' A' ' 79' ' ' MET . 9.3 mt -125.33 133.46 24.87 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.02 128.64 11.63 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.476 1.777 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.881 HD11 HD11 ' A' ' 51' ' ' LEU . 12.1 mm -55.68 -35.21 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.38 -87.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -42.99 -26.16 0.44 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.682 ' HE1' ' HB ' ' A' ' 74' ' ' ILE . 6.2 tpp -41.94 154.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 0.73 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.4 t -144.16 108.29 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.3 t -122.35 133.14 69.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -156.8 33.26 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 42.12 39.0 1.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.48 HD13 ' HA ' ' A' ' 84' ' ' LEU . 1.3 mm? . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 17.8 t . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -117.24 -169.35 1.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.438 ' HE2' HD11 ' A' ' 96' ' ' ILE . 4.3 p90 -148.98 160.34 43.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.588 ' HG3' HG23 ' A' ' 97' ' ' THR . 5.1 pt-20 -118.69 144.33 46.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.564 HD12 ' HE2' ' A' ' 49' ' ' PHE . 26.8 mt -114.96 95.82 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . 1.016 HG22 ' HA ' ' A' ' 103' ' ' ARG . 45.9 p -107.56 175.72 5.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.453 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -176.51 38.46 0.1 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.32 -173.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 0.779 . . . . 0.0 109.983 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.409 ' O ' HG23 ' A' ' 100' ' ' THR . 11.7 t -102.39 41.27 1.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.365 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 1.5 p -170.01 -42.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.85 155.73 22.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 1.016 ' HA ' HG22 ' A' ' 97' ' ' THR . 32.0 ttp180 -179.78 112.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.701 HG23 ' HG3' ' A' ' 36' ' ' MET . 4.4 mt -106.62 131.82 55.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 47.7 t -112.99 98.41 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.484 ' CG1' ' HB ' ' A' ' 34' ' ' VAL . 3.4 t -86.92 125.85 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -77.97 165.11 24.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.608 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 30.6 p -172.58 157.68 3.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 108.284 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -108.43 16.09 23.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 64.05 85.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -135.47 -175.77 4.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -27.8 65.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.98 -57.4 9.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -52.37 -62.25 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.2 -38.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.18 -53.39 55.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.78 ' O ' HD12 ' A' ' 121' ' ' LEU . 50.1 m95 -48.3 -43.19 32.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 107.982 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 88.2 mmm -69.9 -38.24 76.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 122' ' ' ASN . 0.0 OUTLIER -61.27 -52.38 64.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 110.253 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.512 ' O ' ' CG ' ' A' ' 123' ' ' ARG . 1.5 pt20 -66.83 -55.9 12.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.78 HD12 ' O ' ' A' ' 117' ' ' TRP . 7.9 mt -48.72 -25.66 1.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.3 OUTLIER -66.65 -26.72 67.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.73 ' HG3' HD23 ' A' ' 124' ' ' LEU . 0.6 OUTLIER -104.98 -26.7 12.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.745 HD13 ' HA ' ' A' ' 53' ' ' SER . 10.0 mt -72.68 -58.42 3.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 121' ' ' LEU . 19.6 p -68.3 -51.4 45.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.1 m . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -77.77 153.71 80.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -165.26 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.541 1.811 . . . . 0.0 111.039 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 1.003 ' CD1' HD21 ' A' ' 59' ' ' LEU . 4.4 mt -95.15 149.21 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -97.03 134.12 40.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 66.07 34.07 7.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 39.8 t-105 -62.61 152.23 35.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 108.023 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -157.0 177.73 11.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.03 74.57 0.41 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 49.5 -176.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 109.317 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.53 171.43 6.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.6 tt -89.39 -21.41 6.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.07 -4.21 58.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.3 p -97.94 -23.13 15.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.362 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.2 mt -69.33 -69.47 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 178.41 -123.19 0.85 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.137 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -141.8 145.99 35.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.842 HG22 ' HE1' ' A' ' 52' ' ' PHE . 85.7 t -70.55 95.38 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.7 HG22 ' N ' ' A' ' 30' ' ' PHE . 8.8 mt -48.31 -79.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.7 ' N ' HG22 ' A' ' 29' ' ' ILE . 43.2 t80 -137.42 121.47 17.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 ptm -114.86 146.39 41.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.5 m -161.35 154.76 21.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -74.79 104.73 5.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.463 ' HB ' ' CG1' ' A' ' 106' ' ' VAL . 10.3 m -106.88 179.16 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.429 HG22 ' CG ' ' A' ' 46' ' ' GLU . 2.2 t -133.26 115.14 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.873 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.6 tmm? -135.15 123.18 22.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.411 ' CB ' ' HB3' ' A' ' 45' ' ' GLU . 3.0 tm0? -128.61 169.81 13.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -111.82 105.53 14.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.628 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.12 -130.2 50.67 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -126.39 128.15 46.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 13.1 t -132.81 -63.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 108.295 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.424 ' C ' ' CG ' ' A' ' 43' ' ' GLU . 16.0 mt-10 -144.29 -59.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.424 ' CG ' ' C ' ' A' ' 42' ' ' GLU . 5.1 mt-10 -153.29 -178.06 6.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.35 155.52 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 36' ' ' MET . 4.7 tp10 -119.46 105.44 11.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.429 ' CG ' HG22 ' A' ' 35' ' ' VAL . 11.8 mt-10 -79.65 146.97 32.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.446 ' NH1' ' SD ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -162.72 172.77 14.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.273 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -120.33 119.54 33.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.744 ' C ' HD23 ' A' ' 50' ' ' LEU . 2.1 m-30 -103.7 127.31 51.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.798 HD11 HD22 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -115.89 114.92 25.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.805 HD21 HD12 ' A' ' 124' ' ' LEU . 7.4 tp -90.86 113.9 26.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.842 ' HE1' HG22 ' A' ' 28' ' ' VAL . 8.5 m-30 -97.58 4.02 50.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.528 ' HB3' HD11 ' A' ' 29' ' ' ILE . 1.1 p 74.26 41.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.028 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 171.4 -29.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.969 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.719 HG21 ' HD3' ' A' ' 73' ' ' LYS . 3.5 p -142.83 139.98 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.774 HD13 ' O ' ' A' ' 56' ' ' LEU . 1.7 tm? -100.99 95.79 6.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.594 HG13 ' CE2' ' A' ' 52' ' ' PHE . 8.4 mm -78.54 139.12 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.368 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.699 ' O ' HD12 ' A' ' 59' ' ' LEU . 9.5 mtm -120.15 127.16 52.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 111.042 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 1.003 HD21 ' CD1' ' A' ' 14' ' ' ILE . 6.5 mp -122.72 156.37 34.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.3 p -140.14 130.43 25.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.036 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.97 106.87 15.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.471 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.1 OUTLIER 172.96 -54.72 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.019 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.3 Cg_endo -75.02 -179.02 4.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 64.25 -76.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 63' ' ' PRO . 4.2 ttp -178.69 -65.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.1 t -148.52 -173.25 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.031 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 71.07 -131.91 20.96 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.472 ' CG ' HD23 ' A' ' 59' ' ' LEU . 39.8 m-85 -140.32 155.68 46.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 111.01 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.9 ttt -131.02 110.23 11.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -60.8 137.03 58.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -140.74 78.06 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 76.26 167.76 25.4 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.719 ' HD3' HG21 ' A' ' 55' ' ' VAL . 11.4 ptpt -149.3 132.64 16.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.675 HD11 ' CD1' ' A' ' 104' ' ' ILE . 4.4 mt -102.59 113.87 65.65 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 132.18 15.18 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.479 1.778 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.427 HD13 ' SD ' ' A' ' 79' ' ' MET . 21.3 mm -50.09 -41.48 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.82 121.77 7.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 84.83 -32.55 3.44 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.559 ' CE ' HG22 ' A' ' 74' ' ' ILE . 40.3 ttm -37.24 145.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 0.805 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.5 t -128.05 107.89 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.88 HG21 HD22 ' A' ' 121' ' ' LEU . 3.7 t -107.29 145.5 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 167.82 146.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -72.89 57.02 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -97.75 -179.13 4.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.48 ' CD1' ' N ' ' A' ' 94' ' ' PHE . 2.9 p90 -130.21 176.64 7.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.429 ' HG3' HG23 ' A' ' 97' ' ' THR . 3.5 pt-20 -129.0 145.01 51.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 110.264 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.1 mt -119.73 99.39 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.984 HG22 ' HA ' ' A' ' 103' ' ' ARG . 11.3 p -113.26 -175.02 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.389 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -139.83 -72.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.051 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.421 ' O ' ' HB ' ' A' ' 100' ' ' THR . 28.4 t -100.51 -75.85 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.754 . . . . 0.0 109.975 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 99' ' ' SER . 1.3 t 179.88 53.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.426 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.672 HG22 ' O ' ' A' ' 101' ' ' VAL . 2.5 p -178.77 52.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.369 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' ' 103' ' ' ARG . 0.3 OUTLIER -146.99 -70.62 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.262 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.984 ' HA ' HG22 ' A' ' 97' ' ' THR . 22.0 ttt180 43.03 94.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.873 HG23 ' HG3' ' A' ' 36' ' ' MET . 6.7 mt -103.67 106.53 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 28.7 t -82.69 98.19 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.594 HG23 HG22 ' A' ' 104' ' ' ILE . 43.2 t -91.65 115.45 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -72.28 162.83 28.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.596 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 109' ' ' ASN . 5.8 p -170.15 -47.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 108.311 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 108' ' ' CYS . 4.8 t-20 82.33 18.56 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 65.25 85.57 0.14 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -131.24 -172.62 2.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.6 -63.84 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -40.2 -52.14 2.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.575 ' CE1' ' HG3' ' A' ' 118' ' ' MET . 23.3 t80 -48.4 -59.6 3.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -38.09 -64.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.321 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.7 OUTLIER -42.28 -58.14 2.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.73 ' O ' HD12 ' A' ' 121' ' ' LEU . 59.4 m95 -47.59 -47.33 28.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 108.002 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.575 ' HG3' ' CE1' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -67.57 -26.24 66.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 0.0 111.041 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -70.65 -53.43 15.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.295 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 123' ' ' ARG . 6.9 pt20 -68.58 -55.88 10.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.88 HD22 HG21 ' A' ' 81' ' ' VAL . 5.8 mt -49.5 -24.02 1.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.4 OUTLIER -69.65 -28.1 65.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 120' ' ' GLN . 2.5 ptp180 -105.68 -36.43 7.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.805 HD12 HD21 ' A' ' 51' ' ' LEU . 23.2 mt -56.59 -81.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.436 HG23 ' H ' ' A' ' 125' ' ' THR . 71.1 p -42.39 -43.81 3.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.364 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 5.4 mttt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -79.7 154.33 75.89 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 128.65 11.64 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.484 1.781 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.895 HD13 HD21 ' A' ' 59' ' ' LEU . 5.5 mt -85.17 110.95 19.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.719 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 4.4 tt0 -49.67 134.76 19.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 86.5 -42.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.571 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 31.6 t-105 -39.54 114.4 0.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 107.989 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -155.31 137.51 14.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.078 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.72 -94.95 0.5 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -100.54 165.58 11.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.786 ' O ' HG22 ' A' ' 24' ' ' THR . 1.6 m-20 -79.02 169.16 18.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.571 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 3.7 tt -92.79 -33.17 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -73.91 -7.1 51.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.786 HG22 ' O ' ' A' ' 21' ' ' ASP . 6.7 t -87.74 -24.57 23.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.4 mt -77.49 -77.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 174.36 164.55 29.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -61.31 170.68 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.681 HG22 ' HE1' ' A' ' 52' ' ' PHE . 74.1 t -93.19 102.1 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.651 HD11 ' HB3' ' A' ' 53' ' ' SER . 44.1 mt -54.13 -78.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.57 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.5 OUTLIER -129.09 126.25 38.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 111.025 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.448 ' CG ' ' O ' ' A' ' 31' ' ' MET . 13.1 ptm -127.15 127.5 44.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.7 p -154.57 150.88 28.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.04 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -73.46 104.82 4.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 46' ' ' GLU . 15.2 m -105.3 177.57 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 t -126.41 112.71 30.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.832 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.7 tmm? -133.09 123.69 26.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.457 ' HB3' ' CG ' ' A' ' 45' ' ' GLU . 4.9 pt20 -128.91 -174.47 3.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.461 ' CE1' ' OE2' ' A' ' 102' ' ' GLU . 3.8 t-80 -99.54 -59.17 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.575 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -157.42 -125.5 0.85 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.78 86.46 2.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.1 m -108.6 177.03 4.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 108.258 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.24 -72.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' LYS . 12.9 mt-10 -142.95 178.57 7.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' GLU . 38.2 mttm -39.61 140.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.457 ' CG ' ' HB3' ' A' ' 37' ' ' GLN . 5.8 mm-40 -103.44 82.41 2.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 34' ' ' VAL . 1.4 mt-10 -70.03 140.07 52.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 0.0 OUTLIER -154.37 174.64 14.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.415 ' O ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -119.67 118.77 31.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 111.018 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.543 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 2.1 m-30 -107.37 118.16 35.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.817 HD11 HD22 ' A' ' 59' ' ' LEU . 1.6 mt -108.55 110.18 21.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.77 HD21 HD12 ' A' ' 124' ' ' LEU . 7.0 tp -85.8 112.77 21.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.681 ' HE1' HG22 ' A' ' 28' ' ' VAL . 6.8 m-30 -94.56 4.43 53.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.651 ' HB3' HD11 ' A' ' 29' ' ' ILE . 1.3 p 74.4 42.5 0.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.64 -28.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.006 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.475 HG21 ' HD3' ' A' ' 73' ' ' LYS . 5.6 p -143.03 144.66 23.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.749 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.2 tm? -102.72 94.37 5.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.619 HG22 HD13 ' A' ' 59' ' ' LEU . 15.1 mm -77.35 130.38 36.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.651 ' O ' HD12 ' A' ' 59' ' ' LEU . 32.5 mtm -112.74 121.93 46.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.895 HD21 HD13 ' A' ' 14' ' ' ILE . 3.7 mp -122.07 160.14 25.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 47' ' ' ARG . 22.7 t -150.25 153.9 37.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.04 98.05 5.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.68 168.35 12.8 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.974 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 69.81 5.49 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.535 1.808 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.97 -58.21 1.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 169.69 -35.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.66 -176.35 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.993 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.8 146.2 19.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.638 ' CD2' HD23 ' A' ' 59' ' ' LEU . 12.3 m-30 -106.48 135.15 48.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 110.983 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.402 ' O ' ' HA ' ' A' ' 59' ' ' LEU . 14.0 ttt -105.62 125.59 51.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.503 ' CD1' ' CE3' ' A' ' 17' ' ' TRP . 68.8 t80 -88.18 106.64 18.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.413 ' HG2' ' NH2' ' A' ' 47' ' ' ARG . 6.8 mm-40 -80.11 -67.81 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -151.43 174.67 30.54 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.475 ' HD3' HG21 ' A' ' 55' ' ' VAL . 2.4 ptpt -130.91 152.53 50.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.602 ' CG2' ' CE ' ' A' ' 79' ' ' MET . 6.3 mt -131.77 121.61 18.17 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.13 8.4 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.782 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.731 HD11 HD11 ' A' ' 51' ' ' LEU . 32.0 mm -50.23 -25.56 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.73 -67.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.65 -6.7 59.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.602 ' CE ' ' CG2' ' A' ' 74' ' ' ILE . 4.5 ttm -70.72 134.87 47.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 110.984 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.1 t -124.16 109.21 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.483 ' HB ' HG21 ' A' ' 125' ' ' THR . 3.1 t -117.27 147.49 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.463 ' O ' HD12 ' A' ' 84' ' ' LEU . 7.0 p30 177.24 128.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -40.99 114.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.988 HD11 ' HG2' ' A' ' 95' ' ' GLU . 8.7 mp . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 84.8 mtp 51.23 175.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.711 ' HA ' HD13 ' A' ' 84' ' ' LEU . 3.1 p90 -162.4 174.37 12.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.988 ' HG2' HD11 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -128.01 155.15 44.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.584 HG23 ' SD ' ' A' ' 79' ' ' MET . 16.2 mt -128.22 91.9 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.373 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.824 HG23 ' OE2' ' A' ' 95' ' ' GLU . 15.7 p -102.7 -175.44 2.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.435 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 111.72 98.46 2.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.8 p 179.55 -59.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.716 HG23 HG12 ' A' ' 101' ' ' VAL . 11.5 t -167.17 -48.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.362 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.716 HG12 HG23 ' A' ' 100' ' ' THR . 2.5 p -179.14 57.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.461 ' OE2' ' CE1' ' A' ' 38' ' ' HIS . 4.7 tp10 -141.46 142.97 33.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.439 ' HA ' HG22 ' A' ' 97' ' ' THR . 10.6 ttm180 -123.2 132.84 54.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.832 HG23 ' HG3' ' A' ' 36' ' ' MET . 9.2 mt -105.99 116.97 50.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.463 ' O ' HG12 ' A' ' 105' ' ' VAL . 2.9 t -98.05 98.01 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.559 ' HB ' ' CE1' ' A' ' 94' ' ' PHE . 17.1 t -82.72 109.15 16.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.231 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.4 ' O ' ' SG ' ' A' ' 108' ' ' CYS . 4.4 m-70 -70.11 147.1 50.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.599 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 107' ' ' HIS . 0.8 OUTLIER 167.51 88.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 108.274 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 -40.23 -54.61 2.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.7 t30 173.02 156.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 114' ' ' PHE . 0.7 OUTLIER 167.12 142.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 0.0 109.254 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -42.98 -30.64 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.77 -50.0 66.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.475 ' CE2' ' HG3' ' A' ' 118' ' ' MET . 52.5 t80 -53.25 -48.86 67.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -45.37 -54.26 7.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 119' ' ' GLU . 1.5 tt0 -49.57 -58.06 5.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.648 ' HE3' HD11 ' A' ' 121' ' ' LEU . 61.1 m95 -44.55 -50.81 9.42 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.475 ' HG3' ' CE2' ' A' ' 114' ' ' PHE . 89.2 mmm -67.54 -29.0 68.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -71.83 -51.54 21.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.459 ' O ' ' CG ' ' A' ' 123' ' ' ARG . 9.1 pt20 -67.62 -56.49 9.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.332 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.648 HD11 ' HE3' ' A' ' 117' ' ' TRP . 7.9 mt -50.05 -23.88 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 118' ' ' MET . 0.3 OUTLIER -70.14 -30.12 67.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.459 ' CG ' ' O ' ' A' ' 120' ' ' GLN . 12.2 ptm180 -102.98 -38.35 7.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.77 HD12 HD21 ' A' ' 51' ' ' LEU . 18.9 mt -53.5 -74.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.483 HG21 ' HB ' ' A' ' 81' ' ' VAL . 69.9 p -46.07 -57.87 4.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.418 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -43.81 166.36 0.11 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 147.02 33.65 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.507 1.793 . . . . 0.0 111.061 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.761 ' CD1' HD21 ' A' ' 59' ' ' LEU . 9.3 mt -71.68 132.83 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -67.41 153.16 44.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 50.84 51.66 16.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.566 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 68.5 t-105 -99.92 137.45 38.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 108.002 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -141.65 138.74 32.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.259 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 145.66 -117.04 0.94 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.39 -50.7 1.0 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.952 ' O ' HG22 ' A' ' 24' ' ' THR . 0.2 OUTLIER -173.47 143.31 1.04 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.362 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.566 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 9.9 tt -74.44 -15.12 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -92.65 -6.58 49.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.952 HG22 ' O ' ' A' ' 21' ' ' ASP . 4.3 t -88.26 -24.81 23.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.406 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.5 mt -73.85 -81.85 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.01 162.79 28.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -60.43 167.44 2.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.808 HG22 ' CE1' ' A' ' 52' ' ' PHE . 64.9 t -94.24 102.07 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.599 HG22 ' N ' ' A' ' 30' ' ' PHE . 13.7 mt -55.62 -78.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.599 ' N ' HG22 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -121.07 121.68 38.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.705 ' HG3' HD22 ' A' ' 50' ' ' LEU . 11.9 ttm -125.51 127.94 47.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.39 172.17 17.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -85.91 106.64 17.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.43 ' HB ' ' CG1' ' A' ' 106' ' ' VAL . 4.2 m -106.14 176.65 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.541 HG22 ' HA ' ' A' ' 46' ' ' GLU . 2.1 t -131.86 118.85 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.863 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.2 tmm? -138.83 119.31 13.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -112.72 149.27 33.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.343 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -79.02 -68.45 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.586 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -136.25 -124.52 2.38 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.473 1.108 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -111.28 112.31 23.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 0.8 . . . . 0.0 109.252 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.7 t -126.8 -74.11 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 108.315 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.416 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 0.6 OUTLIER -137.17 -79.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.261 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.416 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 5.1 mm-40 -138.78 -169.67 2.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -47.35 147.48 1.6 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 36' ' ' MET . 17.6 tt0 -111.11 98.68 7.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.541 ' HA ' HG22 ' A' ' 35' ' ' VAL . 1.2 tm-20 -82.39 130.15 35.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 110.249 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.96 178.93 8.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -117.56 134.46 54.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.993 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.8 ' C ' HD23 ' A' ' 50' ' ' LEU . 1.6 m-30 -120.58 125.32 47.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.822 HD11 HD22 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -115.25 112.57 22.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.609 HD11 HD11 ' A' ' 76' ' ' ILE . 6.3 tp -87.22 113.56 23.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.808 ' CE1' HG22 ' A' ' 28' ' ' VAL . 6.3 m-30 -99.75 5.86 45.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.941 ' HA ' HD13 ' A' ' 124' ' ' LEU . 48.2 t 68.5 40.5 1.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.955 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 t 178.71 -30.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.034 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.3 p -148.41 146.63 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.641 HD11 ' CE1' ' A' ' 49' ' ' PHE . 3.1 tm? -99.75 93.75 5.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.584 HG13 ' CE2' ' A' ' 52' ' ' PHE . 26.2 mm -75.71 129.27 37.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.68 ' O ' HD12 ' A' ' 59' ' ' LEU . 18.5 mtm -113.11 133.61 54.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.822 HD22 HD11 ' A' ' 50' ' ' LEU . 5.9 mp -122.39 159.17 28.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.7 m -141.37 133.84 28.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.74 -173.71 2.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.469 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.1 OUTLIER 173.23 -55.13 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.469 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.4 Cg_endo -75.0 -174.36 1.91 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.4 ' O ' ' CG ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -133.48 67.8 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.29 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.9 ptm 173.06 -35.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.01 158.04 25.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.984 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.72 -118.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.459 ' CG ' HD23 ' A' ' 59' ' ' LEU . 13.9 m-85 -127.2 170.65 12.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.746 . . . . 0.0 111.051 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.0 ttt -127.4 115.96 19.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.469 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 2.7 t80 -67.49 140.92 57.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -144.0 95.11 2.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.277 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 61.66 163.97 0.28 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.3 pttt -149.78 125.49 10.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.623 HD11 ' CD1' ' A' ' 104' ' ' ILE . 7.9 mt -98.92 121.81 54.7 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 127.45 10.67 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.899 HD13 ' SD ' ' A' ' 79' ' ' MET . 16.2 mm -56.98 -24.39 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.9 -67.64 0.25 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -88.03 24.47 11.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.899 ' SD ' HD13 ' A' ' 76' ' ' ILE . 35.9 ttm -90.71 131.56 36.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 41.5 t -113.7 108.11 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.799 HG21 HD22 ' A' ' 121' ' ' LEU . 4.0 t -102.36 149.95 6.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -179.54 146.48 0.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -85.77 47.56 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.277 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.498 HD21 ' HB3' ' A' ' 95' ' ' GLU . 4.0 mm? . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.7 ptm 172.9 176.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.518 ' HE2' HD11 ' A' ' 96' ' ' ILE . 2.2 p90 -160.06 164.86 32.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.498 ' HB3' HD21 ' A' ' 84' ' ' LEU . 22.0 pt-20 -124.75 132.13 53.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.518 HD11 ' HE2' ' A' ' 94' ' ' PHE . 76.7 mt -102.63 96.69 4.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . 1.018 HG22 ' HA ' ' A' ' 103' ' ' ARG . 49.0 p -105.87 -175.57 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.414 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -148.26 -47.14 0.03 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.652 ' O ' HG23 ' A' ' 101' ' ' VAL . 0.2 OUTLIER -141.89 44.96 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 0.796 . . . . 0.0 109.988 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 41.4 p 45.63 41.92 7.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.411 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 99' ' ' SER . 58.8 t -142.09 -45.82 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 103' ' ' ARG . 4.4 tp10 -61.16 -65.27 0.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 1.018 ' HA ' HG22 ' A' ' 97' ' ' THR . 11.9 ttt180 49.04 99.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.863 HG23 ' HG3' ' A' ' 36' ' ' MET . 6.2 mt -112.08 109.82 29.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 40.7 t -90.27 97.84 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.506 ' HB ' ' CE1' ' A' ' 94' ' ' PHE . 20.8 t -84.36 137.81 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -108.36 164.93 11.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.577 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 176.47 133.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 108.251 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -100.22 -43.46 6.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.435 ' O ' ' CB ' ' A' ' 111' ' ' ASN . 9.1 m-80 -43.68 -48.14 7.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 110' ' ' ASN . 1.6 t30 77.14 -57.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.43 -47.39 1.8 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 2.4 m-20 -67.59 -58.74 4.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 117' ' ' TRP . 6.0 t80 -45.7 -54.87 7.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -38.75 -38.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.58 -50.38 45.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.836 ' O ' HD12 ' A' ' 121' ' ' LEU . 42.1 m95 -44.97 -44.09 9.57 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 87.7 mmm -63.36 -41.0 98.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -68.33 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.341 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.407 ' O ' ' HG ' ' A' ' 124' ' ' LEU . 0.8 OUTLIER -49.1 -57.55 6.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.317 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.836 HD12 ' O ' ' A' ' 117' ' ' TRP . 8.3 mt -45.61 -52.73 10.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -42.45 -28.63 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.408 ' N ' ' C ' ' A' ' 121' ' ' LEU . 29.8 ttt180 -95.83 -59.52 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.941 HD13 ' HA ' ' A' ' 53' ' ' SER . 8.2 mt -43.07 -70.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.591 HG21 ' CG2' ' A' ' 81' ' ' VAL . 43.0 p -57.11 -49.84 74.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.1 mttm . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -110.83 160.81 27.4 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 164.34 33.57 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.982 ' CD1' HD21 ' A' ' 59' ' ' LEU . 4.6 mt -84.76 151.15 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.652 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 12.1 tt0 -92.22 129.86 38.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 80.65 23.32 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.608 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 60.8 t-105 -79.16 115.34 18.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 108.026 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -127.09 126.64 43.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.35 -153.77 17.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -65.24 -161.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 0.765 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.541 ' O ' HG22 ' A' ' 24' ' ' THR . 1.8 m-20 -82.86 175.56 9.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.608 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 5.0 tt -97.18 -23.35 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -91.92 -2.85 56.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.541 HG22 ' O ' ' A' ' 21' ' ' ASP . 14.8 t -94.24 -22.52 18.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.444 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.403 HD13 HG11 ' A' ' 55' ' ' VAL . 45.7 mt -67.1 -80.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.76 45.78 0.21 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.563 1.164 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.604 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER 44.37 -166.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.924 HG22 ' CE1' ' A' ' 52' ' ' PHE . 65.4 t -116.98 116.9 53.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.535 HG22 ' N ' ' A' ' 30' ' ' PHE . 21.1 mt -78.17 -73.98 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 113' ' ' ASP . 0.3 OUTLIER -126.75 121.79 32.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.56 ' HE3' HG11 ' A' ' 28' ' ' VAL . 5.5 ptm -128.04 133.48 49.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 111.045 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.37 168.17 24.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -86.39 106.33 17.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.565 ' HB ' HG13 ' A' ' 106' ' ' VAL . 21.7 m -108.05 171.24 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.572 HG23 ' HG2' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -121.3 109.88 26.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 45' ' ' GLU . 1.3 tmm? -133.46 119.53 19.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.47 147.59 50.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -42.96 -64.2 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.549 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -168.81 -81.09 0.05 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -126.55 86.95 2.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 0.789 . . . . 0.0 109.28 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 58.2 m -106.52 -72.98 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 108.275 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -143.66 -67.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -148.91 175.29 11.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -42.03 136.83 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 36' ' ' MET . 19.8 tt0 -107.3 99.86 9.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.572 ' HG2' HG23 ' A' ' 35' ' ' VAL . 1.7 mt-10 -78.34 136.61 37.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.9 166.93 31.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.421 ' O ' ' HA ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -109.22 137.61 46.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.694 ' C ' HD23 ' A' ' 50' ' ' LEU . 1.7 m-30 -122.03 118.93 29.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.881 HD11 HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -109.26 110.07 21.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.665 HD21 HD12 ' A' ' 124' ' ' LEU . 9.9 tp -86.83 114.44 23.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.924 ' CE1' HG22 ' A' ' 28' ' ' VAL . 7.9 m-30 -100.73 9.34 42.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.842 ' HA ' HD13 ' A' ' 124' ' ' LEU . 4.2 t 65.71 42.61 3.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.418 ' N ' HG13 ' A' ' 76' ' ' ILE . 0.3 OUTLIER 175.81 -30.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.482 ' CG2' ' HD3' ' A' ' 73' ' ' LYS . 9.6 p -146.08 149.0 16.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.774 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.5 tm? -105.15 92.66 4.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.616 HG13 ' CE2' ' A' ' 52' ' ' PHE . 12.0 mm -76.61 128.66 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.762 ' O ' HD12 ' A' ' 59' ' ' LEU . 11.6 mtm -108.47 132.55 53.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.982 HD21 ' CD1' ' A' ' 14' ' ' ILE . 8.2 mp -126.59 158.75 35.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.0 m -142.8 148.44 37.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.09 87.06 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.475 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -79.67 -53.56 1.0 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.984 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 62' ' ' SER . 18.3 Cg_endo -74.97 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.41 175.78 1.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.1 ttp -60.57 161.41 7.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.9 t 76.66 103.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.958 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.51 137.44 7.55 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.504 1.128 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.473 ' CB ' HD23 ' A' ' 59' ' ' LEU . 13.9 m-85 -127.75 169.92 13.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 16.5 ttt -132.18 119.02 20.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.498 ' OH ' ' CG ' ' A' ' 73' ' ' LYS . 72.2 t80 -62.98 141.64 58.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -137.54 66.31 1.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.345 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.81 171.38 19.47 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.498 ' CG ' ' OH ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -143.22 164.62 29.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.761 . . . . 0.0 109.325 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.785 ' HB ' ' HE1' ' A' ' 79' ' ' MET . 7.7 mt -135.14 130.04 19.16 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.98 136.09 19.97 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.545 HD11 HD11 ' A' ' 51' ' ' LEU . 15.9 mm -61.09 -21.6 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.57 -81.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.2 -20.34 4.72 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.785 ' HE1' ' HB ' ' A' ' 74' ' ' ILE . 5.2 tpp -46.63 153.94 0.34 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 0.753 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.2 t -142.8 105.04 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.422 HG21 HD22 ' A' ' 121' ' ' LEU . 4.2 t -111.08 140.78 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -178.08 129.93 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -42.13 118.3 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.636 HD21 ' HG2' ' A' ' 95' ' ' GLU . 13.1 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 58.5 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.81 175.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.41 ' CD1' ' HE1' ' A' ' 114' ' ' PHE . 4.1 p90 -152.35 155.22 37.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.636 ' HG2' HD21 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -112.22 156.4 22.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.51 HG23 ' SD ' ' A' ' 79' ' ' MET . 21.1 mt -127.93 91.34 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.676 HG22 ' HA ' ' A' ' 103' ' ' ARG . 32.2 p -111.22 -176.02 2.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 99' ' ' SER . . . 131.94 -47.06 1.03 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.434 1.084 . . . . 0.0 111.032 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 98' ' ' GLY . 1.1 t -39.31 -63.41 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.751 . . . . 0.0 109.983 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 52.5 m -152.75 -71.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 102' ' ' GLU . 43.4 t -141.72 -45.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 101' ' ' VAL . 2.1 tt0 -37.46 136.3 0.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.676 ' HA ' HG22 ' A' ' 97' ' ' THR . 19.4 ttm105 -112.89 121.11 43.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.505 ' CD1' HD11 ' A' ' 74' ' ' ILE . 4.8 mt -85.01 106.12 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.406 1.066 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 41.9 t -96.58 98.26 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.565 HG13 ' HB ' ' A' ' 34' ' ' VAL . 8.0 t -83.6 117.66 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.449 ' O ' ' CB ' ' A' ' 108' ' ' CYS . 3.6 m80 -70.1 141.07 52.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.612 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.449 ' CB ' ' O ' ' A' ' 107' ' ' HIS . 0.6 OUTLIER 163.55 101.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.138 . . . . 0.0 108.26 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -50.22 -54.4 21.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.416 ' O ' ' O ' ' A' ' 111' ' ' ASN . 58.0 t30 -163.06 -66.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.416 ' O ' ' O ' ' A' ' 110' ' ' ASN . 4.3 m120 49.08 -177.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -97.84 -45.23 6.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 4.0 m-20 -45.73 -64.38 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.478 ' CE1' ' HG3' ' A' ' 118' ' ' MET . 14.0 t80 -41.49 -52.86 3.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -37.86 -41.68 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.334 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -67.74 -48.19 67.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.754 ' O ' HD12 ' A' ' 121' ' ' LEU . 51.1 m95 -45.82 -48.14 15.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 108.025 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.478 ' HG3' ' CE1' ' A' ' 114' ' ' PHE . 2.5 mtp -67.18 -29.0 68.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 116' ' ' GLU . 2.4 tt0 -70.59 -51.69 26.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.512 ' O ' ' CG ' ' A' ' 123' ' ' ARG . 10.7 pt20 -68.79 -55.53 10.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.754 HD12 ' O ' ' A' ' 117' ' ' TRP . 4.9 mt -48.91 -24.83 1.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.3 OUTLIER -67.0 -26.54 66.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.703 ' HG3' HD23 ' A' ' 124' ' ' LEU . 15.2 ptt180 -105.29 -27.85 11.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.842 HD13 ' HA ' ' A' ' 53' ' ' SER . 10.3 mt -70.32 -65.93 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 29.0 p -61.08 -57.04 14.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.443 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -42.89 157.26 0.24 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.259 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 156.44 42.83 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.45 1.763 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.764 ' CD1' HD21 ' A' ' 59' ' ' LEU . 6.9 mt -70.18 130.95 34.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.537 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 1.5 tt0 -72.27 148.2 45.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 73.44 5.09 4.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.663 ' CH2' HD12 ' A' ' 22' ' ' ILE . 63.1 t-105 -72.46 127.23 31.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 107.983 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -131.16 176.09 8.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.11 -126.72 7.83 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.523 1.14 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -107.48 -177.04 3.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 0.754 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -59.86 160.45 7.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.663 HD12 ' CH2' ' A' ' 17' ' ' TRP . 6.6 tt -82.01 -27.32 9.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -60.94 -15.18 28.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.4 p -74.48 -30.65 61.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.452 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.591 HD13 HG11 ' A' ' 55' ' ' VAL . 74.1 mt -75.62 -56.03 5.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 155.43 -128.84 2.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.562 1.164 . . . . 0.0 110.975 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.494 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 43.9 p-10 -123.44 -161.79 1.0 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 0.751 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.831 HG22 ' HE1' ' A' ' 52' ' ' PHE . 92.5 t -117.23 104.3 16.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.567 HD11 ' CB ' ' A' ' 53' ' ' SER . 30.8 mt -59.94 -75.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.521 ' N ' HG22 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -124.74 120.55 32.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.962 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.55 ' HG3' HD22 ' A' ' 50' ' ' LEU . 21.6 ttm -121.5 127.45 51.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.89 168.77 25.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -86.57 105.51 16.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.494 ' HB ' HG13 ' A' ' 106' ' ' VAL . 3.9 m -105.02 179.2 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.54 HG22 ' HA ' ' A' ' 46' ' ' GLU . 2.1 t -137.5 117.31 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.503 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.6 tmm? -137.94 121.9 17.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.432 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 1.5 tp60 -126.11 145.93 50.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.5 -64.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.6 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.75 -129.18 1.11 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.46 1.1 . . . . 0.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.62 94.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 72.3 m -133.79 172.78 12.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 108.307 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.433 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 10.9 mt-10 -39.67 -73.73 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.113 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.433 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 3.8 mm-40 -134.9 -168.39 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 pttp -67.89 157.62 34.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 36' ' ' MET . 4.9 tp10 -114.48 109.17 17.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.54 ' HA ' HG22 ' A' ' 35' ' ' VAL . 0.9 OUTLIER -89.42 132.66 34.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.259 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -152.67 170.38 20.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.62 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -109.87 134.18 52.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.715 ' C ' HD23 ' A' ' 50' ' ' LEU . 1.9 m-30 -118.92 121.76 40.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.715 HD23 ' C ' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -110.06 109.35 19.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.623 HD23 ' NE2' ' A' ' 120' ' ' GLN . 8.7 tp -86.87 112.51 21.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.831 ' HE1' HG22 ' A' ' 28' ' ' VAL . 8.0 m-30 -96.44 -5.34 39.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.918 ' HA ' HD13 ' A' ' 124' ' ' LEU . 0.4 OUTLIER 84.06 -13.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.18 -2.92 6.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.958 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.591 HG11 HD13 ' A' ' 25' ' ' LEU . 7.5 p -176.23 150.15 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.857 HD13 ' O ' ' A' ' 56' ' ' LEU . 1.6 tm? -104.81 94.33 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.608 HG13 ' CE2' ' A' ' 52' ' ' PHE . 7.6 mm -77.4 138.08 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.678 ' O ' HD12 ' A' ' 59' ' ' LEU . 27.7 mtm -120.57 133.57 55.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.847 HD23 ' CB ' ' A' ' 68' ' ' PHE . 6.9 mp -122.24 155.89 34.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.3 p -148.73 127.72 12.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.97 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.77 95.99 8.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.47 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -78.93 -54.49 1.04 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.005 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.2 Cg_endo -75.0 -20.27 17.02 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.22 89.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.464 ' CE ' ' HA ' ' A' ' 65' ' ' MET . 2.6 tpt -178.98 167.76 1.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.6 m -39.74 119.15 0.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.004 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.51 170.66 18.19 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.847 ' CB ' HD23 ' A' ' 59' ' ' LEU . 5.9 m-85 -134.23 173.81 11.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 0.79 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 23.6 ttt -129.85 108.76 10.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.46 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 33.2 t80 -57.8 144.31 38.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -154.36 103.39 2.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.269 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.84 156.84 0.02 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -144.34 134.38 24.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.783 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.711 HD11 HD13 ' A' ' 104' ' ' ILE . 2.0 mt -106.64 114.21 62.14 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 133.27 16.31 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.466 1.772 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.429 HG12 ' N ' ' A' ' 55' ' ' VAL . 42.2 mm -47.46 -34.38 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.81 132.46 46.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.65 -3.75 40.59 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.406 ' CE ' ' HB ' ' A' ' 74' ' ' ILE . 19.9 ttm -63.75 140.67 58.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 0.783 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.5 t -120.7 107.93 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.234 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.65 HG21 HD22 ' A' ' 121' ' ' LEU . 3.2 t -130.32 152.65 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.5 p30 175.04 175.73 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.455 ' HE ' ' HE3' ' A' ' 118' ' ' MET . 0.1 OUTLIER -78.14 -0.03 26.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.716 HD21 ' HG2' ' A' ' 95' ' ' GLU . 83.7 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 26.5 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -173.59 176.93 2.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.544 ' CE1' ' HB ' ' A' ' 106' ' ' VAL . 6.2 p90 -146.92 158.38 43.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.716 ' HG2' HD21 ' A' ' 84' ' ' LEU . 19.1 pt-20 -118.51 167.39 11.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.302 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.8 mt -135.32 98.78 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.62 HG22 ' HA ' ' A' ' 103' ' ' ARG . 39.3 p -125.43 -175.51 3.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.402 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 124.05 135.34 4.46 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.8 t 70.49 -68.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 110.03 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.8 p -64.37 -142.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.2 p -144.55 -46.36 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.37 134.78 53.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.62 ' HA ' HG22 ' A' ' 97' ' ' THR . 38.0 ttp180 -95.05 127.44 41.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.711 HD13 HD11 ' A' ' 74' ' ' ILE . 1.5 mt -91.42 106.77 17.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 25.2 t -95.83 97.55 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.544 ' HB ' ' CE1' ' A' ' 94' ' ' PHE . 11.2 t -82.71 120.12 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -71.41 163.05 28.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.576 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.566 ' CB ' ' CD1' ' A' ' 114' ' ' PHE . 13.9 p -153.71 160.76 42.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 108.31 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -121.03 16.16 11.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.5 m120 61.8 90.1 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -157.61 175.8 13.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -33.0 68.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.32 -51.38 67.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.566 ' CD1' ' CB ' ' A' ' 108' ' ' CYS . 55.2 t80 -51.37 -55.51 18.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.585 1.178 . . . . 0.0 111.045 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.06 -51.19 64.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.343 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.92 -61.41 1.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.13 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.647 ' O ' HD12 ' A' ' 121' ' ' LEU . 47.5 m95 -42.78 -52.82 4.86 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.455 ' HE3' ' HE ' ' A' ' 83' ' ' ARG . 93.5 mmm -61.56 -42.43 98.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -61.95 1.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.623 ' NE2' HD23 ' A' ' 51' ' ' LEU . 10.7 pt20 -60.15 -55.55 32.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.65 HD22 HG21 ' A' ' 81' ' ' VAL . 6.5 mt -45.26 -30.21 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.16 -40.59 78.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.623 ' CG ' HD23 ' A' ' 124' ' ' LEU . 1.5 ptm180 -83.48 -30.42 27.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.918 HD13 ' HA ' ' A' ' 53' ' ' SER . 9.0 mt -67.4 -72.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 47.9 p -57.15 -61.42 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.373 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.6 mttp . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -96.83 160.3 29.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 160.0 40.55 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.569 HD13 HD21 ' A' ' 59' ' ' LEU . 16.1 mt -83.86 139.84 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -77.32 138.25 39.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 63.29 42.49 6.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.582 ' CZ2' HD12 ' A' ' 22' ' ' ILE . 73.8 t-105 -101.76 105.69 16.6 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -111.78 155.78 23.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 110.319 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.52 -84.69 0.25 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.533 1.146 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.35 -64.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.747 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.558 ' CB ' HG23 ' A' ' 24' ' ' THR . 0.7 OUTLIER -154.39 151.82 29.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.582 HD12 ' CZ2' ' A' ' 17' ' ' TRP . 7.7 tt -84.65 -25.6 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.74 -15.0 63.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.558 HG23 ' CB ' ' A' ' 21' ' ' ASP . 41.0 p -69.84 -33.45 72.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.487 HD13 HG11 ' A' ' 55' ' ' VAL . 68.2 mt -73.64 -74.98 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 174.48 -133.88 2.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -117.37 179.09 4.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.802 HG22 ' HE1' ' A' ' 52' ' ' PHE . 80.2 t -101.85 101.54 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.565 HD11 ' HB2' ' A' ' 53' ' ' SER . 42.3 mt -59.67 -78.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.498 ' N ' HG22 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -120.08 119.91 34.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.53 ' HE2' HD22 ' A' ' 50' ' ' LEU . 32.7 ttm -121.6 114.97 21.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.12 166.77 25.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -88.66 106.92 18.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.468 ' HB ' HG13 ' A' ' 106' ' ' VAL . 16.3 m -105.32 176.37 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.772 HG22 ' HG3' ' A' ' 46' ' ' GLU . 2.5 t -124.78 117.48 50.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.852 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.1 tmm? -139.4 120.83 15.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -122.94 171.76 8.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.39 179.02 4.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.583 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.8 91.85 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 111.04 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 62.76 145.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.324 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.6 t -173.3 -59.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 108.305 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -174.32 -82.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 110.245 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -139.98 -178.87 5.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -39.44 136.73 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 36' ' ' MET . 24.6 tt0 -112.68 92.59 4.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.772 ' HG3' HG22 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -70.39 147.55 49.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.86 177.91 8.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -119.8 131.24 55.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.962 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.676 ' HE2' HD12 ' A' ' 96' ' ' ILE . 1.9 m-30 -119.26 114.15 21.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.574 HD23 ' C ' ' A' ' 49' ' ' PHE . 0.8 OUTLIER -102.45 112.48 25.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.622 HD22 ' CZ3' ' A' ' 117' ' ' TRP . 6.6 tp -84.97 113.75 21.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.802 ' HE1' HG22 ' A' ' 28' ' ' VAL . 6.4 m-30 -101.74 6.29 41.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.845 ' HA ' HD13 ' A' ' 124' ' ' LEU . 8.4 t 65.61 50.56 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.024 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.6 OUTLIER 161.37 -22.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.541 HG21 ' HD3' ' A' ' 73' ' ' LYS . 2.8 p -151.71 140.05 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.763 HD12 HD12 ' A' ' 74' ' ' ILE . 2.3 tm? -101.84 95.01 6.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.607 HG13 ' CE2' ' A' ' 52' ' ' PHE . 14.1 mm -75.9 126.27 36.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.709 ' O ' HD12 ' A' ' 59' ' ' LEU . 39.5 mtm -109.48 137.04 47.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.709 HD12 ' O ' ' A' ' 58' ' ' MET . 4.3 mp -127.39 161.87 27.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.6 p -135.41 132.88 38.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.28 157.51 33.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.492 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.1 OUTLIER 176.21 -55.82 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.968 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.492 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.3 Cg_endo -75.02 118.84 5.41 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.454 1.766 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -78.98 84.68 4.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.7 ttp -176.83 -57.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.9 t -87.88 161.92 17.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.78 -110.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.481 ' CB ' HD23 ' A' ' 59' ' ' LEU . 14.1 m-85 -124.25 157.85 33.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 111.046 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.413 ' O ' ' HA ' ' A' ' 59' ' ' LEU . 5.5 ttt -114.93 130.66 56.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -90.28 128.79 36.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -104.24 -61.16 1.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -155.6 170.1 33.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.541 ' HD3' HG21 ' A' ' 55' ' ' VAL . 1.1 ptpt -137.33 133.99 35.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.754 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.763 HD12 HD12 ' A' ' 56' ' ' LEU . 4.0 mt -104.61 120.96 48.66 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 124.9 9.0 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.455 1.766 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.69 HD13 ' SD ' ' A' ' 79' ' ' MET . 21.3 mm -42.75 -35.94 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.86 121.73 9.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.1 -17.48 17.36 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.69 ' SD ' HD13 ' A' ' 76' ' ' ILE . 33.1 ttm -56.79 120.56 8.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.773 . . . . 0.0 110.949 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.6 t -105.1 106.89 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 1.066 HG21 HD22 ' A' ' 121' ' ' LEU . 7.2 t -111.67 150.03 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 30.0 p30 171.62 170.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 84' ' ' LEU . 11.5 ptt-85 -89.39 37.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 83' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 8.6 m . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 21.9 ptm -179.79 149.85 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -150.73 159.37 44.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.499 ' HG3' HG23 ' A' ' 97' ' ' THR . 6.3 pt-20 -104.19 155.31 18.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.676 HD12 ' HE2' ' A' ' 49' ' ' PHE . 45.1 mt -128.29 93.62 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.765 HG22 ' HA ' ' A' ' 103' ' ' ARG . 9.8 p -109.25 -174.92 2.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.411 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 125.14 84.97 0.59 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.66 -66.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 0.791 . . . . 0.0 109.96 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.494 ' C ' HG23 ' A' ' 101' ' ' VAL . 2.7 m -159.83 -63.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.392 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.57 ' O ' HG12 ' A' ' 101' ' ' VAL . 97.1 t -156.64 57.7 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.429 ' O ' ' HB ' ' A' ' 97' ' ' THR . 8.1 tt0 -129.77 142.34 50.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.765 ' HA ' HG22 ' A' ' 97' ' ' THR . 54.3 ttp180 -135.06 117.85 16.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.852 HG23 ' HG3' ' A' ' 36' ' ' MET . 10.6 mt -95.45 104.54 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 36.9 t -82.89 97.86 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.486 HG23 HG22 ' A' ' 104' ' ' ILE . 40.1 t -88.06 114.34 26.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -81.5 127.47 32.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.566 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 92.7 m -115.98 164.53 14.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 0.0 108.352 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -138.08 -49.04 0.55 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.53 161.43 27.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -102.95 -55.55 2.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -54.01 -56.63 16.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.11 -57.17 13.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -47.24 -52.87 14.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -47.04 -56.73 5.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -45.71 -59.82 2.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.622 ' CZ3' HD22 ' A' ' 51' ' ' LEU . 46.9 m95 -43.12 -54.76 4.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.027 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 94.6 mmm -57.18 -42.33 80.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -56.95 -69.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.572 ' OE1' HD23 ' A' ' 51' ' ' LEU . 1.8 pt20 -51.35 -56.55 12.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 1.066 HD22 HG21 ' A' ' 81' ' ' VAL . 5.9 mt -42.87 -53.7 4.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -45.68 -42.2 11.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.505 ' HG2' HD23 ' A' ' 124' ' ' LEU . 6.6 ttm180 -73.45 -59.06 2.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.845 HD13 ' HA ' ' A' ' 53' ' ' SER . 8.2 mt -46.86 -77.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.434 HG21 ' HB ' ' A' ' 81' ' ' VAL . 82.1 p -42.45 -69.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.387 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.9 tttt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -61.62 147.74 88.01 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.7 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.501 1.79 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.79 ' CD1' HD21 ' A' ' 59' ' ' LEU . 3.2 mt -107.11 148.51 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.716 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 7.9 tt0 -98.94 140.11 33.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 87.42 -16.99 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.477 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 27.6 t-105 -53.62 109.05 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 108.006 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -132.98 161.74 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.71 -135.02 21.32 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.82 151.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -87.47 166.92 14.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.477 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 7.0 tt -86.95 -35.77 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -51.15 -24.24 3.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.4 p -62.48 -35.21 78.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.381 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.71 -75.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.521 ' O ' ' CB ' ' A' ' 27' ' ' ASN . . . 64.38 154.08 0.11 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.509 1.131 . . . . 0.0 111.052 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.521 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 1.2 t30 83.91 129.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 0.749 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.788 HG22 ' CE1' ' A' ' 52' ' ' PHE . 53.5 t -130.14 93.08 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.748 HD11 ' HB2' ' A' ' 53' ' ' SER . 53.7 mt -42.54 -81.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.518 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.3 OUTLIER -122.65 129.45 51.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.79 ' HE3' HD22 ' A' ' 50' ' ' LEU . 32.5 ttm -132.13 115.68 16.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.5 t -149.01 171.54 16.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -88.5 105.47 17.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.344 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.405 ' HB ' HG13 ' A' ' 106' ' ' VAL . 25.9 m -105.79 166.1 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.479 HG23 ' HG2' ' A' ' 46' ' ' GLU . 1.4 t -114.43 110.08 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.787 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.2 tmm? -134.1 121.2 21.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -127.75 -178.33 4.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -88.43 -49.79 6.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.618 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 179.51 -116.04 0.5 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.13 . . . . 0.0 110.96 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.98 93.5 3.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.755 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.42 176.51 8.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 108.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -38.38 -85.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 44' ' ' LYS . 14.0 mt-10 -138.22 176.03 9.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.411 ' HD2' HG21 ' A' ' 35' ' ' VAL . 13.7 pttt -39.2 138.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 36' ' ' MET . 5.3 tp10 -101.92 96.12 6.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.479 ' HG2' HG23 ' A' ' 35' ' ' VAL . 1.6 mt-10 -79.11 134.28 36.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -148.94 170.52 18.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.486 ' CE2' ' CZ ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -114.21 119.84 38.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.766 ' C ' HD23 ' A' ' 50' ' ' LEU . 2.3 m-30 -106.74 122.51 46.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.822 HD11 HD22 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -110.17 109.96 20.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.57 HD22 ' CZ3' ' A' ' 117' ' ' TRP . 5.7 tp -86.13 108.11 18.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.788 ' CE1' HG22 ' A' ' 28' ' ' VAL . 8.6 m-30 -92.37 4.55 53.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.748 ' HB2' HD11 ' A' ' 29' ' ' ILE . 8.0 t 72.61 44.9 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.995 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 167.89 -26.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.985 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.423 HG21 ' HD3' ' A' ' 73' ' ' LYS . 9.2 p -143.81 145.87 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.683 HD13 ' O ' ' A' ' 56' ' ' LEU . 3.1 tm? -104.86 90.34 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.623 HG13 ' CE2' ' A' ' 52' ' ' PHE . 23.3 mm -76.7 126.48 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.735 ' O ' HD12 ' A' ' 59' ' ' LEU . 15.1 mtm -108.74 131.7 54.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.822 HD22 HD11 ' A' ' 50' ' ' LEU . 6.6 mp -124.98 158.41 33.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 p -149.2 129.31 13.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -98.91 97.6 8.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.471 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -73.02 -54.58 4.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.969 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.2 Cg_endo -74.95 127.47 10.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.1 83.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.251 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 30.4 ttp -169.68 -73.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 54.6 p -167.95 -176.36 3.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.98 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.48 156.55 13.48 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.566 ' CB ' HD23 ' A' ' 59' ' ' LEU . 34.0 m-85 -130.1 154.57 47.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -123.16 121.1 35.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.956 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -71.01 142.7 50.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -153.3 98.61 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.347 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.03 162.07 0.49 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.423 ' HD3' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -149.11 133.37 17.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 0.785 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.596 HD11 HD12 ' A' ' 104' ' ' ILE . 0.9 OUTLIER -108.59 114.01 59.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.471 ' O ' ' N ' ' A' ' 79' ' ' MET . 18.4 Cg_endo -75.01 135.16 18.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.452 HD13 ' SD ' ' A' ' 79' ' ' MET . 15.8 mm -50.62 -44.31 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.19 -52.52 64.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -82.26 4.41 77.01 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.461 1.1 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.507 ' HE1' ' HB ' ' A' ' 74' ' ' ILE . 17.5 ttm -85.16 160.3 19.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 32.3 t -142.71 107.04 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.596 HG21 HD22 ' A' ' 121' ' ' LEU . 6.0 t -117.88 130.57 72.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 -164.67 46.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.17 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 40.13 54.02 2.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.928 HD13 ' OE1' ' A' ' 95' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.7 mtp 50.66 -173.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -153.64 159.45 42.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.928 ' OE1' HD13 ' A' ' 84' ' ' LEU . 7.4 pt-20 -122.69 157.0 33.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.403 HD12 ' HE2' ' A' ' 49' ' ' PHE . 76.5 mt -123.48 98.11 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.813 HG22 ' HA ' ' A' ' 103' ' ' ARG . 47.8 p -111.87 -175.76 2.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 109.62 91.81 2.16 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.55 1.156 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 25.2 t -176.56 -59.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 110.023 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.68 -51.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.42 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.625 HG22 ' O ' ' A' ' 101' ' ' VAL . 2.7 p -176.09 55.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -136.47 142.4 43.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.813 ' HA ' HG22 ' A' ' 97' ' ' THR . 19.8 ttp-105 -129.29 119.38 23.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.787 HG23 ' HG3' ' A' ' 36' ' ' MET . 3.2 mt -92.52 110.98 23.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.1 t -93.82 98.15 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.405 HG13 ' HB ' ' A' ' 34' ' ' VAL . 17.7 t -82.39 123.69 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -86.36 165.16 16.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.588 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.58 174.29 7.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 108.294 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -121.55 15.73 11.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 62.04 117.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 178.91 -179.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -31.58 39.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.256 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.416 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 1.2 m-20 -62.11 -59.6 4.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -48.79 -64.5 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -41.2 -41.8 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.425 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -60.9 -59.0 6.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.291 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.779 ' O ' HD12 ' A' ' 121' ' ' LEU . 46.8 m95 -49.8 -44.49 49.1 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -38.24 90.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.09 -69.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.48 ' NE2' HD23 ' A' ' 51' ' ' LEU . 6.7 pt20 -45.38 -57.12 4.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.779 HD12 ' O ' ' A' ' 117' ' ' TRP . 10.7 mt -47.14 -48.43 23.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.64 -29.13 58.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 120' ' ' GLN . 21.6 ttt180 -86.4 -59.16 2.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.608 HD13 ' HA ' ' A' ' 53' ' ' SER . 13.6 mt -45.17 -71.46 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.473 HG21 ' HB ' ' A' ' 81' ' ' VAL . 49.2 p -52.94 -55.6 22.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.415 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.365 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -94.85 162.28 25.77 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -173.45 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.472 1.775 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.83 ' CD1' HD21 ' A' ' 59' ' ' LEU . 3.7 mt -83.31 154.7 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.552 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 5.1 tt0 -105.05 126.82 52.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 74.59 20.36 2.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.568 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 39.4 t-105 -44.27 -76.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 73.27 103.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.29 -147.44 12.78 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.133 . . . . 0.0 111.062 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.4 -57.41 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.862 ' O ' HG22 ' A' ' 24' ' ' THR . 0.9 OUTLIER -159.68 142.1 13.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.568 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 10.5 tt -82.45 -27.69 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.72 -2.95 52.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.862 HG22 ' O ' ' A' ' 21' ' ' ASP . 1.9 t -92.21 -26.65 18.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.4 mt -68.27 -79.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -175.61 139.9 4.92 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.562 1.164 . . . . 0.0 111.043 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -44.94 156.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 109.312 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.792 HG22 ' CE1' ' A' ' 52' ' ' PHE . 92.3 t -83.72 100.93 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.583 HD11 ' HB3' ' A' ' 53' ' ' SER . 34.7 mt -55.97 -75.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.59 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.3 OUTLIER -122.93 121.51 36.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.974 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.73 ' HE2' HD22 ' A' ' 50' ' ' LEU . 32.5 ttm -124.15 121.31 34.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.24 163.08 33.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -80.69 109.83 15.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.4 m -105.23 175.47 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.535 HG22 ' HG3' ' A' ' 46' ' ' GLU . 1.8 t -124.6 107.91 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.845 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.3 tmm? -132.07 121.87 24.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.044 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.48 ' CB ' ' HB3' ' A' ' 45' ' ' GLU . 3.4 tm0? -131.96 173.78 10.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.0 -50.22 67.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.556 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -147.14 -81.26 0.04 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.469 1.105 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -141.74 -48.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.588 0.817 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 46.27 -166.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 108.291 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.497 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 1.8 mt-10 -49.18 -53.71 19.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.497 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 3.6 mm-40 -142.7 -169.65 3.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -77.33 168.82 19.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 36' ' ' MET . 5.4 tp10 -120.33 102.16 8.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.535 ' HG3' HG22 ' A' ' 35' ' ' VAL . 19.4 mt-10 -79.84 145.61 32.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.442 ' NH2' ' OE1' ' A' ' 71' ' ' GLN . 0.2 OUTLIER -162.71 177.76 9.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -117.16 130.46 56.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.672 ' C ' HD23 ' A' ' 50' ' ' LEU . 1.8 m-30 -119.42 118.76 31.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.73 HD22 ' HE2' ' A' ' 31' ' ' MET . 0.4 OUTLIER -109.13 111.85 23.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.621 HD23 ' OE1' ' A' ' 120' ' ' GLN . 4.9 tp -88.01 118.03 27.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.792 ' CE1' HG22 ' A' ' 28' ' ' VAL . 7.4 m-30 -101.72 4.32 40.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.851 ' HA ' HD13 ' A' ' 124' ' ' LEU . 1.5 p 73.17 44.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.3 OUTLIER 166.41 -26.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.97 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.443 HG21 ' HE3' ' A' ' 73' ' ' LYS . 3.1 p -143.87 143.72 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.793 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.2 tm? -104.88 94.36 5.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.577 1.173 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.599 HG13 ' CE2' ' A' ' 52' ' ' PHE . 9.9 mm -76.31 131.28 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.362 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.578 ' O ' HD12 ' A' ' 59' ' ' LEU . 41.1 mtm -118.82 130.95 56.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.83 HD21 ' CD1' ' A' ' 14' ' ' ILE . 1.7 mp -119.9 157.71 28.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.9 t -119.02 148.96 42.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.49 131.12 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.04 172.12 7.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.993 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 64.01 6.01 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.428 1.752 . . . . 0.0 111.031 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.82 172.01 18.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.302 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.521 ' O ' ' CB ' ' A' ' 66' ' ' SER . 4.0 ttp -74.48 111.01 9.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 65' ' ' MET . 2.6 t 157.82 132.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.005 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.96 -122.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.695 ' HD2' HD23 ' A' ' 59' ' ' LEU . 14.5 m-30 -107.67 148.27 29.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 15.6 ttt -121.77 121.38 37.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 111.003 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' GLN . 24.1 t80 -73.2 119.45 17.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.442 ' OE1' ' NH2' ' A' ' 47' ' ' ARG . 7.6 mm-40 -94.22 -62.16 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.42 ' O ' ' CE ' ' A' ' 58' ' ' MET . . . -155.13 167.71 32.88 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.443 ' HE3' HG21 ' A' ' 55' ' ' VAL . 1.3 pttt -132.13 132.4 43.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.563 HG22 ' HE3' ' A' ' 79' ' ' MET . 8.8 mt -106.12 116.22 59.85 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 125.32 9.22 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.553 1.817 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.804 HD13 ' SD ' ' A' ' 79' ' ' MET . 10.9 mm -51.32 -24.8 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.94 -64.63 0.87 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.453 ' O ' ' CA ' ' A' ' 98' ' ' GLY . . . -84.15 12.09 55.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.804 ' SD ' HD13 ' A' ' 76' ' ' ILE . 42.6 ttm -86.04 147.71 26.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 0.743 . . . . 0.0 110.959 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.5 t -137.88 107.84 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.449 HG22 HG12 ' A' ' 96' ' ' ILE . 5.4 t -117.88 151.77 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 22.6 p30 176.54 162.86 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.272 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' LEU . 1.1 ttt180 -73.62 57.8 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 84' ' ' LEU . 4.5 mm? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.497 ' HA ' ' CE2' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -138.94 162.35 35.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.422 ' HE1' HD11 ' A' ' 96' ' ' ILE . 32.7 p90 -130.58 176.61 8.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.476 ' OE1' ' CD ' ' A' ' 103' ' ' ARG . 8.3 pt-20 -128.84 150.09 50.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.449 HG12 HG22 ' A' ' 81' ' ' VAL . 37.0 mt -124.26 91.91 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.867 HG22 ' HA ' ' A' ' 103' ' ' ARG . 46.6 p -103.89 -175.68 2.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.453 ' CA ' ' O ' ' A' ' 78' ' ' GLY . . . 149.17 45.31 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.12 -167.99 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 110.06 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.583 HG22 HG23 ' A' ' 101' ' ' VAL . 6.3 m -58.35 -56.33 23.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.583 HG23 HG22 ' A' ' 100' ' ' THR . 98.1 t -155.79 65.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -126.27 145.95 50.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.867 ' HA ' HG22 ' A' ' 97' ' ' THR . 20.7 ttm105 -145.81 134.28 21.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.845 HG23 ' HG3' ' A' ' 36' ' ' MET . 5.4 mt -114.66 107.46 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 42.2 t -89.92 97.75 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.3 t -87.34 121.88 38.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -76.45 155.13 34.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.63 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.442 ' CB ' ' HB2' ' A' ' 114' ' ' PHE . 28.4 p -95.83 124.83 40.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 108.237 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -54.05 -53.03 58.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -140.87 -57.16 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.2 t30 177.39 -48.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -60.93 -61.28 2.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 112' ' ' GLN . 0.8 OUTLIER -40.26 -63.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 115' ' ' GLN . 0.9 OUTLIER -51.29 -54.38 26.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 111.006 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.5 ' N ' ' CD1' ' A' ' 114' ' ' PHE . 0.7 OUTLIER -37.24 -72.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -45.64 -58.97 3.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.61 ' HZ3' HD13 ' A' ' 51' ' ' LEU . 26.0 m95 -43.21 -68.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 108.03 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.409 ' HG3' ' N ' ' A' ' 119' ' ' GLU . 0.7 OUTLIER -54.75 -19.37 6.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 116' ' ' GLU . 0.8 OUTLIER -75.62 -70.66 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.272 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.621 ' OE1' HD23 ' A' ' 51' ' ' LEU . 8.0 pt20 -47.01 -54.4 10.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 117' ' ' TRP . 5.5 mt -44.08 -52.02 7.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -48.56 -34.99 12.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 120' ' ' GLN . 28.4 ttt180 -83.06 -58.39 2.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.851 HD13 ' HA ' ' A' ' 53' ' ' SER . 9.5 mt -46.52 -56.91 5.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 121' ' ' LEU . 26.4 p -68.29 -63.94 0.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.373 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.454 ' N ' ' OG1' ' A' ' 125' ' ' THR . 4.2 tttt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -146.4 160.05 43.21 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 151.17 39.29 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.451 1.763 . . . . 0.0 111.035 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.862 HD13 HD21 ' A' ' 59' ' ' LEU . 6.0 mt -79.0 126.93 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.708 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 4.0 tt0 -60.86 139.33 58.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 85.57 -38.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.537 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 33.8 t-105 -40.19 114.32 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 107.993 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -64.36 -175.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 20' ' ' ASP . . . -51.87 -43.23 54.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.115 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 19' ' ' GLY . 7.0 m-20 -38.79 136.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.544 ' HB3' HG23 ' A' ' 24' ' ' THR . 2.0 m-20 -84.56 151.91 24.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.537 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 12.4 tt -93.91 -19.58 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -74.83 -2.94 28.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.544 HG23 ' HB3' ' A' ' 21' ' ' ASP . 56.2 p -85.39 -27.61 25.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.348 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.484 HD13 HG11 ' A' ' 55' ' ' VAL . 74.9 mt -75.31 -66.0 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.153 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 163.71 -141.75 7.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.105 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.48 173.36 6.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 0.752 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.825 HG22 ' HE1' ' A' ' 52' ' ' PHE . 69.6 t -95.7 104.2 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.726 HD11 ' HB3' ' A' ' 53' ' ' SER . 67.0 mt -57.83 -77.51 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.584 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -129.56 123.66 31.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.499 ' HB2' HD22 ' A' ' 50' ' ' LEU . 16.9 ptm -126.84 133.45 50.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.4 t -160.81 166.85 27.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 109.945 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -86.05 104.83 16.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.253 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.7 m -105.25 179.34 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.612 HG21 ' HD3' ' A' ' 44' ' ' LYS . 2.0 t -130.05 117.5 40.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.465 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.7 tmm? -139.64 122.28 16.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.448 ' OE1' ' N ' ' A' ' 38' ' ' HIS . 23.9 tm0? -122.81 -73.65 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.448 ' N ' ' OE1' ' A' ' 37' ' ' GLN . 51.5 t60 65.19 151.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.617 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 64.66 107.02 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.519 1.137 . . . . 0.0 111.043 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 41' ' ' CYS . . . 45.25 85.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 0.761 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 42' ' ' GLU . 30.2 p -54.86 -171.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 108.333 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER 163.8 -44.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.446 ' CG ' ' C ' ' A' ' 42' ' ' GLU . 7.1 mt-10 -154.76 176.86 11.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 110.232 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.612 ' HD3' HG21 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -90.11 102.21 14.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.235 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 36' ' ' MET . 0.6 OUTLIER -75.48 94.19 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.563 ' HG3' HG22 ' A' ' 35' ' ' VAL . 11.4 mt-10 -74.69 147.54 41.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.43 174.23 13.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -120.04 110.67 16.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 111.062 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.596 ' C ' HD23 ' A' ' 50' ' ' LEU . 3.2 m-30 -99.17 125.2 44.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.909 HD11 HD22 ' A' ' 59' ' ' LEU . 1.3 mt -115.36 110.57 19.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.558 HD21 HD12 ' A' ' 124' ' ' LEU . 6.1 tp -85.86 115.69 23.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.825 ' HE1' HG22 ' A' ' 28' ' ' VAL . 7.3 m-30 -99.63 4.2 45.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.726 ' HB3' HD11 ' A' ' 29' ' ' ILE . 1.1 p 74.08 40.76 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.959 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.08 -30.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.954 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.484 HG11 HD13 ' A' ' 25' ' ' LEU . 8.8 p -142.43 155.82 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.814 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.0 tm? -111.25 93.69 4.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.611 HG13 ' CE2' ' A' ' 52' ' ' PHE . 11.8 mm -77.12 130.29 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.647 ' O ' HD12 ' A' ' 59' ' ' LEU . 31.9 mtm -115.16 130.13 56.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.909 HD22 HD11 ' A' ' 50' ' ' LEU . 3.9 mp -120.43 159.92 24.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 57.4 m -137.99 148.87 45.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.996 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -125.11 66.2 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.481 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.3 OUTLIER -79.16 -55.23 0.94 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.992 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.4 Cg_endo -75.03 131.26 14.05 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.499 1.789 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.51 ' O ' ' C ' ' A' ' 65' ' ' MET . 17.3 ttt180 -55.9 144.91 26.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.51 ' C ' ' O ' ' A' ' 64' ' ' ARG . 2.8 ptm 28.47 62.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.0 t -138.76 52.47 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.98 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 39.53 -144.88 0.32 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.125 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.71 ' CD2' HD23 ' A' ' 59' ' ' LEU . 19.6 m-30 -115.99 154.84 29.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 16.1 ttt -118.4 116.63 27.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.475 ' CD1' ' CZ3' ' A' ' 17' ' ' TRP . 60.5 t80 -71.83 111.18 6.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -83.07 -74.17 0.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -143.99 177.85 22.41 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.523 1.14 . . . . 0.0 111.0 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.475 ' HD3' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -137.77 138.87 39.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.597 HG22 ' HE2' ' A' ' 79' ' ' MET . 8.4 mt -119.59 122.89 28.94 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 127.72 10.91 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.47 1.774 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.833 HD13 ' SD ' ' A' ' 79' ' ' MET . 23.4 mm -55.12 -26.38 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.42 -72.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.02 -17.23 69.52 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.11 . . . . 0.0 111.06 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.833 ' SD ' HD13 ' A' ' 76' ' ' ILE . 28.5 ttm -55.86 154.79 6.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 0.753 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.6 t -142.58 107.09 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.898 HG21 HD22 ' A' ' 121' ' ' LEU . 5.3 t -111.57 126.71 68.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 81' ' ' VAL . 68.8 m-20 -149.34 174.71 12.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.8 mtt85 -89.47 29.1 1.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.773 HD11 ' CG ' ' A' ' 95' ' ' GLU . 1.4 mp . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.8 mtp -105.14 -170.85 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -150.43 164.48 35.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.773 ' CG ' HD11 ' A' ' 84' ' ' LEU . 9.1 pt-20 -126.34 156.46 40.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.418 HG23 ' HG3' ' A' ' 79' ' ' MET . 71.7 mt -121.35 98.55 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.998 HG22 ' HA ' ' A' ' 103' ' ' ARG . 43.3 p -109.32 -175.89 2.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 110.411 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.37 -48.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.07 -176.3 3.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 0.771 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.5 t -86.05 48.22 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.452 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.2 p -174.08 -42.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -49.34 153.33 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.241 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.998 ' HA ' HG22 ' A' ' 97' ' ' THR . 39.2 ttt180 -178.52 104.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.546 ' O ' HG22 ' A' ' 104' ' ' ILE . 0.9 OUTLIER -103.86 104.26 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.4 t -86.97 98.75 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.0 t -85.27 126.55 40.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -82.18 130.25 35.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.557 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 31.9 p -44.09 151.06 0.25 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 108.291 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.92 -59.49 1.97 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -157.66 -59.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.8 t30 178.24 -62.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -61.47 2.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -46.56 -63.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.484 ' CE1' ' HG3' ' A' ' 118' ' ' MET . 25.0 t80 -43.37 -57.37 3.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -42.73 -60.08 1.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.318 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -45.33 -59.24 2.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.623 ' HE3' HD11 ' A' ' 121' ' ' LEU . 62.4 m95 -46.5 -46.78 19.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 108.02 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.484 ' HG3' ' CE1' ' A' ' 114' ' ' PHE . 99.1 mmm -68.59 -27.86 66.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.987 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 116' ' ' GLU . 1.0 OUTLIER -75.0 -51.2 14.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.505 ' O ' ' CG ' ' A' ' 123' ' ' ARG . 1.4 pt20 -65.65 -59.42 3.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.898 HD22 HG21 ' A' ' 81' ' ' VAL . 7.6 mt -49.03 -23.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.4 OUTLIER -64.73 -28.36 69.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.691 ' HG3' HD23 ' A' ' 124' ' ' LEU . 3.1 ptt180 -104.74 -31.54 9.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.691 HD23 ' HG3' ' A' ' 123' ' ' ARG . 9.0 mt -65.9 -64.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.522 HG22 HG23 ' A' ' 76' ' ' ILE . 43.2 p -78.35 -44.19 25.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.434 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' SER . 10.2 mt-10 -38.5 157.35 0.11 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 144.59 30.36 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.789 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.901 ' CD1' HD21 ' A' ' 59' ' ' LEU . 5.6 mt -65.8 117.94 7.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.667 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -57.84 154.56 11.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 81.83 -44.7 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.592 ' CH2' ' CD1' ' A' ' 22' ' ' ILE . 22.4 t-105 -37.08 136.17 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 108.022 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -163.65 147.59 10.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.51 137.91 0.14 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.432 1.083 . . . . 0.0 111.03 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 53.35 173.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.77 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -105.37 170.09 8.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.592 ' CD1' ' CH2' ' A' ' 17' ' ' TRP . 11.1 tt -96.02 -28.35 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -68.05 -15.59 63.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.4 p -75.55 -28.88 59.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.361 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.523 HD13 HG11 ' A' ' 55' ' ' VAL . 93.2 mt -71.17 -78.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.62 165.39 21.8 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.406 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 10.2 p-10 -54.37 -179.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.77 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.894 HG22 ' CE1' ' A' ' 52' ' ' PHE . 97.2 t -104.33 105.42 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.592 HG22 ' N ' ' A' ' 30' ' ' PHE . 16.6 mt -52.69 -77.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.592 ' N ' HG22 ' A' ' 29' ' ' ILE . 3.4 t80 -136.42 129.73 31.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 111.035 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.473 ' HB2' HD22 ' A' ' 50' ' ' LEU . 4.8 ptm -128.59 137.36 51.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.41 ' O ' HG13 ' A' ' 34' ' ' VAL . 4.6 p -161.84 152.63 17.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -68.49 107.31 2.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.428 ' HB ' HG13 ' A' ' 106' ' ' VAL . 17.4 m -107.04 175.51 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.585 HG22 ' HG3' ' A' ' 46' ' ' GLU . 2.1 t -126.2 108.61 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.781 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.7 tmm? -131.55 124.03 29.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -123.37 -173.72 2.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -173.47 -49.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.593 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.96 -27.35 10.35 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 62.54 152.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 0.772 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.3 t -150.62 -74.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 108.332 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.54 -58.69 1.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 44' ' ' LYS . 8.4 mt-10 -149.62 -166.2 2.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 43' ' ' GLU . 13.5 mttt -39.15 157.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 36' ' ' MET . 37.1 mm-40 -113.43 91.68 3.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.585 ' HG3' HG22 ' A' ' 35' ' ' VAL . 15.5 mt-10 -74.43 144.32 44.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.241 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -162.35 169.45 20.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -111.95 124.46 52.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.588 ' HZ ' HD13 ' A' ' 104' ' ' ILE . 1.8 m-30 -113.18 111.32 21.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.054 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.564 HD23 ' N ' ' A' ' 50' ' ' LEU . 1.8 mt -100.34 107.72 19.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.368 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.556 ' HB2' ' CZ3' ' A' ' 117' ' ' TRP . 7.5 tp -85.02 113.61 21.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.894 ' CE1' HG22 ' A' ' 28' ' ' VAL . 7.2 m-30 -95.7 -3.84 45.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.755 ' HA ' HD13 ' A' ' 124' ' ' LEU . 0.4 OUTLIER 83.92 -13.18 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.979 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.02 -8.3 8.3 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.523 HG11 HD13 ' A' ' 25' ' ' LEU . 2.6 p -175.05 153.05 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.883 HD13 ' O ' ' A' ' 56' ' ' LEU . 1.3 tm? -102.42 96.99 7.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.587 HG13 ' CE2' ' A' ' 52' ' ' PHE . 15.0 mm -77.12 139.16 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.699 ' O ' HD12 ' A' ' 59' ' ' LEU . 17.3 mtm -120.19 137.14 54.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.901 HD21 ' CD1' ' A' ' 14' ' ' ILE . 10.0 mp -126.76 158.53 36.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.3 t -140.61 152.14 45.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -141.65 78.59 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.479 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -64.78 -52.81 48.16 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 110.004 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 62' ' ' SER . 18.2 Cg_endo -75.01 -174.04 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.785 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -62.52 162.23 10.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.414 ' O ' ' HG3' ' A' ' 65' ' ' MET . 5.1 ptm -47.89 113.53 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.2 t 179.93 85.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.72 -171.22 41.76 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.813 ' CB ' HD23 ' A' ' 59' ' ' LEU . 8.9 m-85 -136.44 174.96 10.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 6.4 ttt -135.27 108.75 7.88 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.492 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 66.4 t80 -56.06 133.28 51.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -135.74 92.96 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 59.03 169.26 0.25 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -151.34 136.36 17.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.735 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.827 HD12 HD12 ' A' ' 56' ' ' LEU . 10.0 mt -100.23 124.8 41.85 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 136.52 20.46 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.778 HD13 ' SD ' ' A' ' 79' ' ' MET . 14.5 mm -61.31 -26.0 38.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.51 -77.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -82.79 42.59 2.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.778 ' SD ' HD13 ' A' ' 76' ' ' ILE . 10.3 ttm -98.66 111.15 23.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.744 . . . . 0.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.2 t -102.03 107.34 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.776 HG21 HD22 ' A' ' 121' ' ' LEU . 4.0 t -116.29 132.8 64.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -151.36 160.49 43.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -90.91 25.47 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.548 HD13 ' OE1' ' A' ' 95' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.51 ' O ' ' CG ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.51 ' CG ' ' O ' ' A' ' 92' ' ' CYS . 19.6 ptm 44.08 -170.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -166.08 160.2 16.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.669 ' HG2' HG23 ' A' ' 97' ' ' THR . 0.7 OUTLIER -119.02 163.57 16.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 110.225 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.51 HG22 HD13 ' A' ' 74' ' ' ILE . 48.4 mt -130.27 96.37 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.984 HG22 ' HA ' ' A' ' 103' ' ' ARG . 60.8 p -116.36 -175.92 2.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -161.92 -42.97 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.57 -168.09 1.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 0.736 . . . . 0.0 110.001 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.443 ' C ' HG23 ' A' ' 101' ' ' VAL . 12.9 t -93.31 35.12 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.443 HG23 ' C ' ' A' ' 100' ' ' THR . 47.9 t -153.11 -45.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -63.83 139.77 58.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.984 ' HA ' HG22 ' A' ' 97' ' ' THR . 49.0 ttp180 -167.5 111.84 0.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.781 HG23 ' HG3' ' A' ' 36' ' ' MET . 4.2 mt -111.79 121.54 64.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.426 ' O ' HG12 ' A' ' 105' ' ' VAL . 4.1 t -99.77 97.63 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.428 HG13 ' HB ' ' A' ' 34' ' ' VAL . 17.1 t -87.57 114.72 26.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -77.07 142.58 39.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.603 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.538 ' CB ' ' CD1' ' A' ' 114' ' ' PHE . 21.5 p -119.18 173.98 6.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 108.319 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -128.62 11.45 6.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 57.8 t30 55.05 100.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -172.46 178.82 2.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.43 -25.76 62.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.256 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.51 -55.5 8.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.538 ' CD1' ' CB ' ' A' ' 108' ' ' CYS . 67.3 t80 -47.53 -58.76 3.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -40.67 -61.07 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.342 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -39.08 -66.37 0.29 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 110.274 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.586 ' C ' HD12 ' A' ' 121' ' ' LEU . 47.0 m95 -40.03 -56.09 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 108.023 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.04 -44.13 82.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.415 ' CG ' ' N ' ' A' ' 120' ' ' GLN . 1.5 tt0 -54.57 -67.71 0.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.505 ' OE1' ' CG2' ' A' ' 29' ' ' ILE . 8.8 pt20 -53.98 -57.6 10.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.776 HD22 HG21 ' A' ' 81' ' ' VAL . 7.1 mt -42.72 -36.33 1.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -65.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.5 ' CG ' ' N ' ' A' ' 124' ' ' LEU . 1.1 ptm180 -61.37 -41.47 97.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.251 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.755 HD13 ' HA ' ' A' ' 53' ' ' SER . 6.6 mt -52.1 -83.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 72.4 p -45.58 -34.79 3.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 0.0 110.393 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -76.81 152.95 83.05 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 170.5 20.28 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.546 HD13 HD21 ' A' ' 59' ' ' LEU . 4.3 mt -88.89 150.23 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.606 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 5.8 tt0 -90.8 133.07 35.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 77.14 16.61 1.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.757 ' CH2' HD12 ' A' ' 22' ' ' ILE . 73.5 t-105 -77.93 112.16 14.53 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -59.92 -177.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.85 -169.96 0.26 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.566 1.166 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 61.11 118.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.529 ' CB ' HG23 ' A' ' 24' ' ' THR . 0.4 OUTLIER -55.95 155.23 6.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.757 HD12 ' CH2' ' A' ' 17' ' ' TRP . 13.1 tt -82.37 -32.14 10.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -23.19 62.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.529 HG23 ' CB ' ' A' ' 21' ' ' ASP . 20.8 p -67.41 -28.46 67.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.433 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.93 -65.81 0.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.17 -149.95 17.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -101.68 -174.11 2.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 0.775 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.858 HG22 ' CE1' ' A' ' 52' ' ' PHE . 79.2 t -111.4 95.85 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.66 HD11 ' HB2' ' A' ' 53' ' ' SER . 55.5 mt -49.25 -78.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.571 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -123.67 121.07 34.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.965 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.898 ' HE2' HD22 ' A' ' 50' ' ' LEU . 32.1 ttm -123.67 123.96 41.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.2 t -158.88 164.39 35.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -81.49 109.0 15.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.479 ' HB ' HG13 ' A' ' 106' ' ' VAL . 16.8 m -105.05 172.8 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.548 HG22 ' HG3' ' A' ' 46' ' ' GLU . 2.2 t -122.8 116.63 49.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.637 ' O ' ' CB ' ' A' ' 37' ' ' GLN . 1.6 tmm? -140.63 123.66 16.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.637 ' CB ' ' O ' ' A' ' 36' ' ' MET . 4.0 tp-100 97.74 159.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -171.95 158.51 4.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.592 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.62 -174.93 47.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.78 72.61 8.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.7 t -127.98 -53.92 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 108.298 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.416 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 2.4 mt-10 -166.27 -79.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.416 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 5.2 mm-40 -141.16 -169.85 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -42.93 163.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.514 ' CB ' ' HB3' ' A' ' 37' ' ' GLN . 68.6 mm-40 -104.65 86.8 2.55 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.548 ' HG3' HG22 ' A' ' 35' ' ' VAL . 11.4 mt-10 -71.55 148.65 46.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.54 174.44 13.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.416 ' O ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -117.18 128.03 54.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.648 ' C ' HD23 ' A' ' 50' ' ' LEU . 2.8 m-30 -117.55 119.86 36.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.898 HD22 ' HE2' ' A' ' 31' ' ' MET . 0.3 OUTLIER -107.9 111.81 24.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.595 HD21 HD12 ' A' ' 124' ' ' LEU . 6.2 tp -86.94 110.21 19.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.858 ' CE1' HG22 ' A' ' 28' ' ' VAL . 6.8 m-30 -98.6 7.03 46.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.66 ' HB2' HD11 ' A' ' 29' ' ' ILE . 4.5 t 65.44 48.55 2.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.152 . . . . 0.0 110.034 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.415 ' N ' HG13 ' A' ' 76' ' ' ILE . 0.3 OUTLIER 167.02 -26.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.034 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.7 p -149.86 142.49 17.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.78 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.2 tm? -101.59 94.06 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.608 HG13 ' CE2' ' A' ' 52' ' ' PHE . 11.6 mm -76.73 127.44 37.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.585 ' O ' HD12 ' A' ' 59' ' ' LEU . 35.8 mtm -112.61 135.74 52.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.717 HD22 HD11 ' A' ' 50' ' ' LEU . 1.6 mp -121.32 162.13 20.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 69' ' ' MET . 0.7 OUTLIER -140.41 123.37 16.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.984 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.65 158.99 18.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.481 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.1 OUTLIER 173.99 -54.91 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.2 Cg_endo -75.07 -171.49 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.542 1.812 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -128.31 152.17 48.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.301 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.4 tpt 59.7 85.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.3 p 168.32 -31.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.86 -115.92 5.44 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.454 1.097 . . . . 0.0 110.975 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -122.36 158.56 29.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 60' ' ' SER . 5.9 ttt -120.07 130.14 54.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -85.45 148.27 26.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -121.69 -72.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 110.288 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -137.7 168.82 24.36 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.145 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -138.29 130.08 28.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 0.0 109.361 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.564 HD11 HD12 ' A' ' 104' ' ' ILE . 14.1 mt -108.51 122.07 41.43 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 129.24 12.15 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.485 1.781 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.812 HD13 ' SD ' ' A' ' 79' ' ' MET . 29.0 mm -54.45 -25.41 14.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.13 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.67 -66.49 0.46 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.435 ' O ' ' CA ' ' A' ' 98' ' ' GLY . . . -84.23 15.41 39.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.812 ' SD ' HD13 ' A' ' 76' ' ' ILE . 22.3 ttm -83.3 143.78 30.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 111.05 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.3 t -125.65 107.98 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.654 HG21 HD22 ' A' ' 121' ' ' LEU . 9.6 t -106.65 139.08 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 84' ' ' LEU . 21.3 m-20 179.78 132.42 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 84' ' ' LEU . 1.7 ptp85 -69.97 57.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.433 HD21 ' HB3' ' A' ' 95' ' ' GLU . 4.0 mm? . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.44 ' O ' ' CE1' ' A' ' 114' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.417 ' O ' ' HA ' ' A' ' 83' ' ' ARG . 2.0 ptm -141.22 162.89 34.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -132.24 169.34 16.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.477 ' OE1' ' CD ' ' A' ' 103' ' ' ARG . 6.3 pt-20 -122.62 141.05 52.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 74.3 mt -110.9 100.87 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.698 HG22 ' HA ' ' A' ' 103' ' ' ARG . 52.5 p -123.77 -175.87 3.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.384 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.435 ' CA ' ' O ' ' A' ' 78' ' ' GLY . . . 178.56 -79.87 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.2 -19.27 13.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.028 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.457 HG22 ' H ' ' A' ' 101' ' ' VAL . 49.3 m -90.37 172.37 8.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.368 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.457 ' H ' HG22 ' A' ' 100' ' ' THR . 11.2 m -116.35 -31.66 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.432 ' H ' HG22 ' A' ' 100' ' ' THR . 14.2 tp10 -38.48 -38.8 0.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.698 ' HA ' HG22 ' A' ' 97' ' ' THR . 27.9 ttp180 63.72 127.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.564 HD12 HD11 ' A' ' 74' ' ' ILE . 2.3 mt -95.63 109.21 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.438 HG23 ' NE ' ' A' ' 103' ' ' ARG . 50.1 t -96.47 98.35 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.479 HG13 ' HB ' ' A' ' 34' ' ' VAL . 10.5 t -86.46 117.9 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -70.33 148.83 48.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.626 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.514 ' SG ' ' CG ' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -47.78 108.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 108.346 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -41.3 -49.94 3.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -170.78 -66.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -170.69 -70.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.06 -55.93 7.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 1.3 m-20 -48.39 -52.42 21.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.514 ' CG ' ' SG ' ' A' ' 108' ' ' CYS . 12.4 t80 -48.8 -59.01 3.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.12 -46.25 11.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -52.27 -58.7 5.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.295 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.845 ' O ' HD12 ' A' ' 121' ' ' LEU . 54.6 m95 -45.64 -43.51 12.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 107.952 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.411 ' O ' ' HB2' ' A' ' 122' ' ' ASN . 0.0 OUTLIER -65.75 -35.57 81.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 111.028 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 122' ' ' ASN . 0.0 OUTLIER -65.87 -64.0 0.96 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.505 ' O ' ' N ' ' A' ' 123' ' ' ARG . 0.3 OUTLIER -50.01 -58.42 5.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 110.262 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.845 HD12 ' O ' ' A' ' 117' ' ' TRP . 6.5 mt -50.57 -22.67 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 119' ' ' GLU . 1.2 t-20 -72.45 -27.78 62.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.718 ' NH1' HD21 ' A' ' 124' ' ' LEU . 4.2 ptm180 -105.31 -33.82 8.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.34 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.718 HD21 ' NH1' ' A' ' 123' ' ' ARG . 19.7 mt -59.12 -77.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.43 ' HA ' ' CG2' ' A' ' 76' ' ' ILE . 70.8 p -48.15 -30.02 4.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.369 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -166.37 -58.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 110.04 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 p -145.45 163.84 33.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.52 168.99 24.35 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.11 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.8 m -166.51 147.93 6.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 110.038 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 p -46.36 153.58 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.977 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.99 -162.82 5.97 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.426 ' C ' ' N ' ' A' ' 10' ' ' LEU . 13.1 mp0 69.88 -61.77 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 110.274 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.452 HG22 ' HG ' ' A' ' 10' ' ' LEU . 1.8 tt -43.75 -27.54 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.452 ' HG ' HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -124.98 54.16 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.75 -48.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -118.62 162.76 29.07 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.02 43.01 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 111.043 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.733 ' CD1' HD21 ' A' ' 59' ' ' LEU . 9.6 mt -74.55 125.04 33.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.72 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 3.6 tt0 -57.84 139.56 53.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 86.73 -37.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.594 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 31.3 t-105 -40.52 131.97 2.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 107.997 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -168.54 112.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.26 -78.67 0.08 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -142.41 -72.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.699 ' O ' HG22 ' A' ' 24' ' ' THR . 0.4 OUTLIER -170.27 160.29 7.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.594 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 4.8 tt -94.47 -32.07 4.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.07 -10.83 60.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.699 HG22 ' O ' ' A' ' 21' ' ' ASP . 6.1 t -84.03 -27.39 28.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 110.427 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.9 mt -68.33 -46.84 69.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 158.46 -118.04 0.81 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.469 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 1.2 m-20 -134.6 -166.04 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 109.359 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.81 HG22 ' HE1' ' A' ' 52' ' ' PHE . 74.6 t -118.44 93.9 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.753 HD11 ' CB ' ' A' ' 53' ' ' SER . 61.0 mt -48.46 -78.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 113' ' ' ASP . 0.3 OUTLIER -124.14 123.32 40.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.642 ' HE3' HD22 ' A' ' 50' ' ' LEU . 35.8 ttm -124.0 127.46 47.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.6 t -160.83 166.93 27.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.993 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -85.85 108.39 18.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 110.336 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.482 ' HB ' ' CG1' ' A' ' 106' ' ' VAL . 11.3 m -105.49 177.92 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.491 ' O ' HG12 ' A' ' 35' ' ' VAL . 1.4 t -131.7 107.22 12.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.455 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 3.4 tmm? -128.15 121.17 28.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.431 ' CB ' ' HB2' ' A' ' 45' ' ' GLU . 9.8 tm0? -129.11 -72.74 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -177.25 -170.94 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.627 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.25 71.24 2.73 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.143 . . . . 0.0 111.052 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 60.2 111.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 0.78 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.9 t -147.1 -74.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 108.305 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.423 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 5.7 mt-10 -123.85 -71.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.423 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 10.3 mm-40 -141.42 -168.52 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.262 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -84.16 -179.47 7.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' A' ' 36' ' ' MET . 1.1 mm-40 -151.17 99.97 2.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.454 ' HG2' HG23 ' A' ' 35' ' ' VAL . 1.3 mt-10 -73.69 139.82 45.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.45 165.68 25.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -107.17 133.63 51.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.782 ' C ' HD23 ' A' ' 50' ' ' LEU . 2.0 m-30 -119.04 125.81 50.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.782 HD23 ' C ' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -115.5 110.01 18.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.638 HD23 ' OE1' ' A' ' 120' ' ' GLN . 6.8 tp -88.45 111.65 22.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.81 ' HE1' HG22 ' A' ' 28' ' ' VAL . 7.7 m-30 -94.68 -4.69 47.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.16 . . . . 0.0 111.042 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.753 ' CB ' HD11 ' A' ' 29' ' ' ILE . 0.5 OUTLIER 84.23 -13.66 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.991 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.36 -4.28 7.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.401 HG21 ' HD3' ' A' ' 73' ' ' LYS . 1.2 p -176.27 154.26 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.372 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.789 HD12 HD12 ' A' ' 74' ' ' ILE . 1.3 tm? -106.45 98.96 8.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.584 HG13 ' CE2' ' A' ' 52' ' ' PHE . 11.5 mm -81.59 134.81 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.643 ' O ' HD12 ' A' ' 59' ' ' LEU . 38.1 mtm -119.04 133.79 55.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.739 HD22 HD11 ' A' ' 50' ' ' LEU . 4.2 mp -121.38 160.22 24.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.1 t -138.75 152.69 48.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -126.92 62.37 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.483 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -43.02 -52.9 11.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 62' ' ' SER . 18.3 Cg_endo -75.02 -162.64 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.526 1.803 . . . . 0.0 111.004 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.52 -85.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.332 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -134.91 109.8 8.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.3 t 179.71 90.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.94 -166.65 2.68 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.51 ' CD1' ' HB3' ' A' ' 59' ' ' LEU . 7.5 m-85 -128.96 171.15 12.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 0.737 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 20.6 ttt -128.11 118.54 23.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.476 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 23.4 t80 -74.01 123.16 23.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -94.68 -70.59 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -146.75 172.16 27.34 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.459 1.099 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.401 ' HD3' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -132.08 139.03 48.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.766 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.789 HD12 HD12 ' A' ' 56' ' ' LEU . 2.5 mt -117.58 115.78 37.23 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.452 ' C ' ' N ' ' A' ' 77' ' ' ALA . 18.2 Cg_endo -75.04 127.11 10.39 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 40.8 mm -41.07 -28.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.244 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.452 ' N ' ' C ' ' A' ' 75' ' ' PRO . . . -70.04 132.07 45.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.97 -15.8 25.02 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.53 ' HE3' ' HB ' ' A' ' 74' ' ' ILE . 3.5 tpp -53.04 153.11 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 36.8 t -138.73 111.53 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.7 t -131.43 119.05 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 83' ' ' ARG . 72.0 m-20 -149.4 41.81 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.536 ' HB3' ' HE2' ' A' ' 118' ' ' MET . 28.0 ptt180 38.11 37.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.788 HD13 ' CE ' ' A' ' 93' ' ' MET . 2.8 mt 44.68 68.7 0.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -96.54 12.64 30.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.937 ' C ' HD13 ' A' ' 87' ' ' ILE . 14.4 mt-10 -77.71 -4.41 46.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.937 HD13 ' C ' ' A' ' 86' ' ' GLU . 0.9 OUTLIER -108.49 -148.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.561 ' H ' HG22 ' A' ' 87' ' ' ILE . 59.3 mt-10 -158.93 116.03 2.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 38.6 77.82 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 t -166.38 81.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 65.56 142.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.492 ' O ' ' CG ' ' A' ' 93' ' ' MET . 0.9 OUTLIER -82.58 -85.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 108.286 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.788 ' CE ' HD13 ' A' ' 84' ' ' LEU . 15.5 ptt? 42.57 -167.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.45 ' CB ' ' HA ' ' A' ' 83' ' ' ARG . 17.9 p90 -167.65 157.56 10.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.569 ' HB3' HD11 ' A' ' 84' ' ' LEU . 9.6 pt-20 -112.71 166.23 11.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.375 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.44 HD11 ' HE2' ' A' ' 94' ' ' PHE . 52.4 mt -135.85 93.01 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.847 HG22 ' HA ' ' A' ' 103' ' ' ARG . 21.9 p -113.94 -175.48 2.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 134.08 60.79 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.55 -170.16 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.963 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.442 HG22 HG12 ' A' ' 101' ' ' VAL . 97.5 m -42.56 -63.86 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.361 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.655 HG22 ' O ' ' A' ' 101' ' ' VAL . 2.1 p -163.79 63.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 103' ' ' ARG . 1.1 tp10 -124.6 137.58 54.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.847 ' HA ' HG22 ' A' ' 97' ' ' THR . 43.6 ttp180 -137.81 119.53 15.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.63 ' CD1' HD11 ' A' ' 74' ' ' ILE . 1.9 mt -96.9 110.44 24.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.0 t -97.67 98.49 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.482 ' CG1' ' HB ' ' A' ' 34' ' ' VAL . 4.6 t -85.03 135.68 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.46 157.82 37.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.592 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.16 -168.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 108.282 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -160.06 -44.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 72.14 79.48 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 179.68 166.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -20.59 11.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 4.3 m-20 -65.67 -53.16 44.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -50.52 -61.48 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -35.8 12.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -57.75 9.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.624 ' O ' HD12 ' A' ' 121' ' ' LEU . 51.5 m95 -47.56 -46.28 27.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 107.95 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.536 ' HE2' ' HB3' ' A' ' 83' ' ' ARG . 94.5 mmm -67.48 -34.61 77.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 122' ' ' ASN . 0.4 OUTLIER -64.91 -53.94 38.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.638 ' OE1' HD23 ' A' ' 51' ' ' LEU . 1.9 pt20 -65.55 -57.58 7.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.35 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 117' ' ' TRP . 9.9 mt -46.93 -27.06 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.3 OUTLIER -68.22 -54.16 19.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.44 ' HG3' ' N ' ' A' ' 124' ' ' LEU . 3.9 ptp180 -74.75 -35.16 62.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.673 HD13 ' HA ' ' A' ' 53' ' ' SER . 6.2 mt -55.93 -76.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 121' ' ' LEU . 60.2 p -46.4 -31.07 2.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.418 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -95.55 -165.43 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.26 88.26 2.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.09 . . . . 0.0 109.988 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 106.97 165.69 22.29 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 150.51 38.17 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.498 1.789 . . . . 0.0 110.973 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.44 108.63 8.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 34.2 t 51.62 82.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -124.88 162.14 25.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 109.962 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 t -89.51 85.14 6.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.04 -59.87 2.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 m -105.28 117.6 34.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 109.978 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 p -77.05 116.0 17.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.04 103.28 2.98 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -115.11 163.72 15.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 0.777 . . . . 0.0 110.355 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.516 HD12 ' CD2' ' A' ' 68' ' ' PHE . 11.4 mm -72.39 151.18 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 12' ' ' GLU . 4.6 pp -42.49 159.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' GLU . 13.8 m -43.25 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.013 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 10' ' ' LEU . 5.3 mt-10 -38.98 152.76 0.18 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -164.38 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.475 1.776 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.933 ' CD1' HD21 ' A' ' 59' ' ' LEU . 5.2 mt -96.62 152.54 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.666 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 6.2 tt0 -97.76 127.51 43.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 81.5 22.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.792 ' CZ2' HD12 ' A' ' 22' ' ' ILE . 69.7 t-105 -80.25 129.69 34.68 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -126.38 -179.67 4.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.97 -95.7 1.09 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -164.44 -53.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.537 ' CB ' HG23 ' A' ' 24' ' ' THR . 0.4 OUTLIER -160.45 151.26 18.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.792 HD12 ' CZ2' ' A' ' 17' ' ' TRP . 4.9 tt -82.33 -20.67 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -74.3 -7.85 54.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.537 HG23 ' CB ' ' A' ' 21' ' ' ASP . 29.8 p -80.02 -31.48 39.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.443 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 79.4 mt -73.6 -63.67 1.15 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.15 -152.79 22.53 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -105.22 154.54 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.848 HG22 ' CE1' ' A' ' 52' ' ' PHE . 89.5 t -78.5 96.66 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.693 HG22 ' N ' ' A' ' 30' ' ' PHE . 8.0 mt -44.77 -78.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.693 ' N ' HG22 ' A' ' 29' ' ' ILE . 84.4 t80 -141.32 119.53 12.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.5 ptm -112.57 146.14 39.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.3 t -161.63 153.42 19.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -73.85 105.41 5.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.1 m -105.41 178.89 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.565 HG22 ' HG3' ' A' ' 46' ' ' GLU . 2.1 t -131.33 111.64 19.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.69 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.6 tmm? -133.06 119.56 20.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -121.65 -97.69 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -158.55 -51.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.596 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -172.96 -73.8 0.05 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -164.83 101.32 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.6 m -119.51 -71.36 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 108.295 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.448 ' C ' ' CG ' ' A' ' 43' ' ' GLU . 19.5 mt-10 -128.4 -53.44 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.227 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.448 ' CG ' ' C ' ' A' ' 42' ' ' GLU . 4.9 mt-10 -154.18 -176.17 5.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.325 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.401 ' HB2' ' CG1' ' A' ' 35' ' ' VAL . 39.3 pttt -75.63 153.98 36.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 36' ' ' MET . 24.1 tt0 -114.59 104.79 12.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.565 ' HG3' HG22 ' A' ' 35' ' ' VAL . 12.5 mt-10 -80.84 147.98 30.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.64 174.82 12.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -120.56 116.66 25.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.571 ' C ' HD23 ' A' ' 50' ' ' LEU . 2.5 m-30 -104.44 121.28 43.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.956 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.728 HD11 HD22 ' A' ' 59' ' ' LEU . 1.3 mt -108.25 115.06 29.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.865 HD21 HD12 ' A' ' 124' ' ' LEU . 10.4 tp -91.8 112.42 24.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.848 ' CE1' HG22 ' A' ' 28' ' ' VAL . 8.9 m-30 -95.25 0.58 54.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.573 ' CB ' HD11 ' A' ' 29' ' ' ILE . 0.9 OUTLIER 79.36 35.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.001 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.39 -32.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.046 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.8 p -138.24 149.4 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.768 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.4 tm? -107.53 93.45 4.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.625 HG13 ' CE2' ' A' ' 52' ' ' PHE . 5.0 mm -77.03 135.13 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.566 ' O ' HD12 ' A' ' 59' ' ' LEU . 12.6 mtm -119.75 127.85 53.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.933 HD21 ' CD1' ' A' ' 14' ' ' ILE . 1.6 mp -119.24 161.18 20.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.4 m -127.72 135.48 50.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -137.34 29.11 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.471 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.2 OUTLIER -39.38 -54.93 3.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.958 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.5 Cg_endo -74.94 144.65 30.74 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.793 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.471 ' C ' ' CG ' ' A' ' 65' ' ' MET . 0.5 OUTLIER -102.11 85.02 2.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.471 ' CG ' ' C ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER 165.32 -29.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 111.007 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.8 m -96.53 165.19 12.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.959 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.45 -147.13 0.7 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.131 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.7 ' HD2' HD23 ' A' ' 59' ' ' LEU . 12.4 m-30 -108.09 144.87 34.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 0.765 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.1 ttt -116.25 131.88 56.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -86.73 126.1 34.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -101.01 -64.31 1.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -149.88 175.21 29.1 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -138.39 138.6 38.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 0.753 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.603 HD11 HD12 ' A' ' 104' ' ' ILE . 4.1 mt -113.04 121.76 37.45 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 125.65 9.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.742 HD13 ' SD ' ' A' ' 79' ' ' MET . 10.4 mm -51.63 -26.35 6.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.09 -72.65 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -71.44 -3.66 54.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.435 1.084 . . . . 0.0 110.964 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.742 ' SD ' HD13 ' A' ' 76' ' ' ILE . 32.5 ttm -67.72 146.62 53.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.4 t -135.78 108.77 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.637 HG21 HD22 ' A' ' 121' ' ' LEU . 3.8 t -110.77 140.2 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.486 ' O ' HD12 ' A' ' 84' ' ' LEU . 55.7 m-20 -174.04 165.99 4.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.29 11.52 11.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.744 HD11 ' HG2' ' A' ' 95' ' ' GLU . 6.4 mp 54.67 54.72 8.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -85.81 -1.73 57.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.838 ' C ' HD13 ' A' ' 87' ' ' ILE . 3.3 mt-10 -70.08 -7.04 38.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.838 HD13 ' C ' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -103.24 -145.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.534 ' H ' HG22 ' A' ' 87' ' ' ILE . 4.9 pt-20 -134.84 61.89 1.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.65 96.79 0.14 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.4 t -106.07 -58.88 1.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 0.748 . . . . 0.0 110.016 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.98 168.9 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 27.8 p -85.4 70.31 10.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 108.29 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.1 ptt? -148.87 -170.07 3.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -148.25 157.86 43.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.744 ' HG2' HD11 ' A' ' 84' ' ' LEU . 6.4 pt-20 -120.88 139.9 52.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 53.0 mt -107.91 117.55 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.621 HG22 ' HA ' ' A' ' 103' ' ' ARG . 46.6 p -126.11 -175.61 3.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.422 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 133.7 69.25 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.46 -173.46 0.43 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.573 0.808 . . . . 0.0 110.004 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.498 HG23 ' N ' ' A' ' 101' ' ' VAL . 2.4 t -40.31 -55.59 2.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.412 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.498 ' N ' HG23 ' A' ' 100' ' ' THR . 4.5 p -177.55 68.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -130.55 146.05 52.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.621 ' HA ' HG22 ' A' ' 97' ' ' THR . 14.8 ttm105 -133.47 143.76 49.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.69 HG23 ' HG3' ' A' ' 36' ' ' MET . 2.8 mt -119.03 108.72 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 37.6 t -89.47 98.18 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.1 t -87.48 117.86 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.252 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -74.71 132.22 41.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.559 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 32.1 p -51.72 127.84 21.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 108.27 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -61.45 -61.15 2.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -154.74 -65.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -174.18 -65.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -56.09 -62.33 1.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.05 -59.17 4.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -44.11 -53.57 6.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -48.42 -59.36 3.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.12 -53.59 3.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.673 ' HE3' HD11 ' A' ' 121' ' ' LEU . 60.1 m95 -54.29 -51.05 65.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 108.037 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 99.6 mmm -64.68 -17.81 64.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 111.018 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -79.7 -59.06 2.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.517 ' O ' ' N ' ' A' ' 123' ' ' ARG . 7.0 pt20 -61.05 -56.99 14.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.673 HD11 ' HE3' ' A' ' 117' ' ' TRP . 5.5 mt -49.19 -23.8 1.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.5 OUTLIER -69.49 -29.4 67.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 120' ' ' GLN . 3.9 ptp180 -104.72 -36.34 7.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.347 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.865 HD12 HD21 ' A' ' 51' ' ' LEU . 25.1 mt -58.86 -70.93 0.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 126' ' ' LYS . 23.7 p -67.66 -61.33 1.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.443 ' N ' ' OG1' ' A' ' 125' ' ' THR . 0.2 OUTLIER 67.71 105.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 21.4 m -52.36 -60.98 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.021 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -150.03 168.8 30.1 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -44.51 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.532 1.806 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.75 152.39 19.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.965 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.2 t -88.23 -58.84 2.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.6 p -134.18 90.74 2.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 0.737 . . . . 0.0 110.034 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.34 81.49 2.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.985 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.33 -168.82 30.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.135 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.16 155.42 46.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 0.0 109.978 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.47 153.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.961 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.81 -71.51 0.37 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -105.33 148.52 26.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.314 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.562 HD11 ' CE ' ' A' ' 31' ' ' MET . 1.5 tt -42.21 -36.61 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.743 HD12 ' N ' ' A' ' 11' ' ' SER . 2.2 pp -147.29 -48.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.743 ' N ' HD12 ' A' ' 10' ' ' LEU . 0.6 OUTLIER 179.98 -69.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.035 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.524 ' CG ' HD11 ' A' ' 10' ' ' LEU . 3.4 pt-20 -60.51 157.27 37.4 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.34 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.32 13.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.48 1.779 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.717 HD13 HD21 ' A' ' 59' ' ' LEU . 8.2 mt -80.57 156.14 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.52 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 5.4 tt0 -94.39 134.54 36.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 72.22 25.98 2.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.592 ' CZ2' HD12 ' A' ' 22' ' ' ILE . 71.5 t-105 -89.42 98.14 11.59 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -122.86 161.0 24.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.081 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.08 -68.02 0.31 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.102 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -165.81 -174.07 2.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.698 ' HB3' HG23 ' A' ' 24' ' ' THR . 0.2 OUTLIER -69.53 160.94 30.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.592 HD12 ' CZ2' ' A' ' 17' ' ' TRP . 9.9 tt -93.76 -34.36 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.231 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -59.12 -18.84 39.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.698 HG23 ' HB3' ' A' ' 21' ' ' ASP . 48.3 p -72.98 -30.55 63.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.404 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.7 mt -69.37 -63.12 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 162.37 -137.72 4.99 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.98 160.27 23.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.844 HG22 ' HE1' ' A' ' 52' ' ' PHE . 88.0 t -80.16 102.1 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.533 HG22 ' N ' ' A' ' 30' ' ' PHE . 1.4 mp -59.66 -77.45 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.571 ' CD1' ' NE1' ' A' ' 117' ' ' TRP . 1.0 OUTLIER -119.86 122.29 40.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.562 ' CE ' HD11 ' A' ' 9' ' ' ILE . 33.5 ttm -124.17 121.37 34.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.1 p -156.91 145.8 20.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.004 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -72.56 108.07 5.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.464 ' CG2' HG13 ' A' ' 106' ' ' VAL . 9.6 m -105.22 179.15 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.595 HG22 ' HG3' ' A' ' 46' ' ' GLU . 2.3 t -124.97 112.96 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.509 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.9 tmm? -137.72 124.0 20.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.19 169.32 10.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -75.53 -76.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.596 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -141.96 -74.06 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -130.05 126.32 37.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -160.09 -168.15 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 108.271 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -44.21 -91.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -133.93 -169.6 2.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -42.68 141.34 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 36' ' ' MET . 3.3 tp10 -105.74 95.96 6.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.595 ' HG3' HG22 ' A' ' 35' ' ' VAL . 18.3 mt-10 -75.63 147.19 39.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.412 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 0.0 OUTLIER -162.5 175.95 10.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.402 ' O ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -118.36 129.71 55.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.842 ' C ' HD23 ' A' ' 50' ' ' LEU . 3.1 m-30 -117.22 124.28 48.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.874 HD11 HD22 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -110.59 110.44 21.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.652 HD22 ' CZ3' ' A' ' 117' ' ' TRP . 7.2 tp -87.88 112.53 22.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.844 ' HE1' HG22 ' A' ' 28' ' ' VAL . 9.0 m-30 -100.2 8.34 43.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.777 ' HA ' HD13 ' A' ' 124' ' ' LEU . 9.3 t 65.45 41.11 4.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 178.38 -31.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.747 HG21 ' HD3' ' A' ' 73' ' ' LYS . 5.1 p -148.07 142.18 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.755 HD13 ' O ' ' A' ' 56' ' ' LEU . 1.8 tm? -100.02 100.24 11.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.629 HG13 ' CE2' ' A' ' 52' ' ' PHE . 5.1 mm -84.19 132.06 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.765 ' O ' HD12 ' A' ' 59' ' ' LEU . 2.3 mpp? -109.12 133.12 53.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.874 HD22 HD11 ' A' ' 50' ' ' LEU . 6.0 mp -128.65 161.83 28.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 47' ' ' ARG . 34.2 t -149.61 153.5 37.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.954 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -126.26 73.97 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.467 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -67.02 -53.47 25.55 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.017 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 62' ' ' SER . 18.4 Cg_endo -75.03 -174.59 2.0 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.483 1.78 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.58 151.17 47.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.338 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 ptm -37.74 108.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.7 t 179.29 88.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.13 -175.17 24.9 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.555 ' CB ' HD23 ' A' ' 59' ' ' LEU . 12.9 m-85 -130.86 158.7 39.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.402 ' O ' ' HA ' ' A' ' 59' ' ' LEU . 8.9 ttt -112.21 133.52 54.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.421 ' CD1' ' CZ3' ' A' ' 17' ' ' TRP . 53.7 t80 -93.82 131.58 39.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -104.05 -66.56 0.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -144.27 -170.2 13.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.747 ' HD3' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -150.59 137.73 19.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 0.787 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.552 HD11 ' CD1' ' A' ' 104' ' ' ILE . 3.7 mt -111.6 121.07 40.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 124.19 8.4 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.514 1.797 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.82 HD13 ' SD ' ' A' ' 79' ' ' MET . 25.9 mm -56.2 -22.82 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.86 -65.27 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -85.35 14.38 50.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.559 1.162 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.82 ' SD ' HD13 ' A' ' 76' ' ' ILE . 9.7 ttm -78.09 145.3 35.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 0.741 . . . . 0.0 111.013 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 97' ' ' THR . 41.1 t -126.75 107.5 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.631 HG21 HD22 ' A' ' 121' ' ' LEU . 6.0 t -108.32 148.71 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 15.2 p30 170.67 139.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.62 55.18 1.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.495 HD21 ' HB3' ' A' ' 95' ' ' GLU . 4.0 mm? 40.77 73.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -88.64 11.05 18.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 1.003 ' C ' HD13 ' A' ' 87' ' ' ILE . 3.0 mt-10 -90.47 -7.04 54.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 1.003 HD13 ' C ' ' A' ' 86' ' ' GLU . 0.9 OUTLIER -112.83 -148.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.551 ' H ' HG22 ' A' ' 87' ' ' ILE . 3.8 mt-10 -142.96 88.26 2.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 52.71 102.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 13.4 t -116.16 -61.2 1.76 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 0.781 . . . . 0.0 110.007 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -172.73 179.89 2.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.359 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 114' ' ' PHE . 26.9 p -83.46 70.52 10.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 108.27 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.8 ptt? -146.2 159.06 43.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.649 ' HE2' HD11 ' A' ' 96' ' ' ILE . 33.1 p90 -137.49 170.11 16.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.495 ' HB3' HD21 ' A' ' 84' ' ' LEU . 12.9 pt-20 -120.18 139.55 52.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.649 HD11 ' HE2' ' A' ' 94' ' ' PHE . 76.3 mt -113.6 100.21 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.693 HG22 ' HA ' ' A' ' 103' ' ' ARG . 0.7 OUTLIER -130.67 -174.22 3.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.398 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 99' ' ' SER . . . -129.83 -62.17 0.1 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 98' ' ' GLY . 2.9 p 160.98 48.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.61 ' O ' HG23 ' A' ' 101' ' ' VAL . 22.4 m -158.13 -92.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.769 ' O ' HG12 ' A' ' 101' ' ' VAL . 41.9 t -157.91 57.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 109.353 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -129.69 20.48 5.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.277 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.693 ' HA ' HG22 ' A' ' 97' ' ' THR . 41.0 ttm180 -49.9 131.5 22.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.552 ' CD1' HD11 ' A' ' 74' ' ' ILE . 2.6 mt -126.67 108.2 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.7 t -93.34 100.22 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.464 HG13 ' CG2' ' A' ' 34' ' ' VAL . 8.9 t -86.22 126.82 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -85.24 164.12 18.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.621 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 86.1 m -152.33 146.25 25.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 108.295 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -104.58 -52.29 2.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -99.54 -176.46 3.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -114.1 21.15 15.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -97.63 -69.21 0.77 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -53.63 -48.78 69.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.577 ' CE1' ' HG3' ' A' ' 118' ' ' MET . 11.4 t80 -53.1 -53.18 54.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.088 . . . . 0.0 111.005 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.6 -61.41 1.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.331 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.415 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -47.75 -59.38 3.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.659 ' O ' HD12 ' A' ' 121' ' ' LEU . 40.0 m95 -46.14 -49.58 16.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 108.022 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.577 ' HG3' ' CE1' ' A' ' 114' ' ' PHE . 98.9 mmm -61.68 -33.45 74.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.69 -64.17 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.532 ' OE1' HD23 ' A' ' 51' ' ' LEU . 1.5 pt20 -55.94 -58.9 5.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.659 HD12 ' O ' ' A' ' 117' ' ' TRP . 8.1 mt -41.64 -29.34 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.405 ' N ' ' C ' ' A' ' 120' ' ' GLN . 0.4 OUTLIER -74.33 -50.2 19.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 120' ' ' GLN . 13.6 ptt180 -73.44 -22.46 60.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.777 HD13 ' HA ' ' A' ' 53' ' ' SER . 12.2 mt -74.22 -76.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 62.0 p -48.47 -51.6 26.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.369 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 123' ' ' ARG . 1.2 mttm -102.36 -163.16 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.35 -54.77 3.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.023 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 155.01 -161.96 30.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 165.42 31.33 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.32 153.26 47.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 35.2 p -164.88 -58.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.428 1.08 . . . . 0.0 111.023 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.47 -69.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.998 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.4 m -150.59 170.69 18.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.929 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.09 138.57 2.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 m -169.92 166.59 9.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.747 . . . . 0.0 109.996 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 t -153.78 150.09 28.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 110.039 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.63 116.55 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 65.72 146.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 0.74 . . . . 0.0 110.303 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.896 HG22 ' HG ' ' A' ' 10' ' ' LEU . 9.6 mm 62.23 128.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.896 ' HG ' HG22 ' A' ' 9' ' ' ILE . 3.7 pp 41.62 -166.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.784 ' OG ' HD12 ' A' ' 10' ' ' LEU . 1.1 m 79.96 -61.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -120.94 158.68 51.74 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 159.28 41.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.965 ' CD1' HD21 ' A' ' 59' ' ' LEU . 4.4 mt -85.88 159.14 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.451 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 7.9 tt0 -94.93 131.29 41.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 69.1 39.71 1.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.563 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 75.9 t-105 -82.18 -40.98 20.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 108.008 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 72.85 165.67 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 20' ' ' ASP . . . -48.7 125.15 13.49 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 0.5 OUTLIER 161.84 154.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 0.787 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.928 ' O ' HG22 ' A' ' 24' ' ' THR . 3.2 m-20 -98.9 107.46 19.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.563 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 9.2 tt -71.06 -12.51 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.54 ' HE3' HG23 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -92.61 -7.36 47.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.928 HG22 ' O ' ' A' ' 21' ' ' ASP . 4.9 t -86.29 -25.03 25.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 110.352 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.559 HD22 ' CG1' ' A' ' 55' ' ' VAL . 93.3 mt -72.87 -93.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 178.86 171.98 42.69 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.459 1.099 . . . . 0.0 111.04 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -66.94 167.29 11.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 0.744 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.457 HG22 ' CE1' ' A' ' 52' ' ' PHE . 79.3 t -83.76 99.6 6.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.761 HD11 ' CB ' ' A' ' 53' ' ' SER . 70.7 mt -54.95 -78.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.64 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -135.11 123.39 23.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.706 ' CE ' HD11 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -122.79 148.21 45.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -163.91 172.21 14.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.036 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -94.79 105.51 17.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.513 HG21 HG13 ' A' ' 106' ' ' VAL . 20.3 m -111.87 176.35 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.528 HG13 ' H ' ' A' ' 45' ' ' GLU . 2.3 t -125.19 112.26 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.733 ' HG3' HG23 ' A' ' 104' ' ' ILE . 2.8 tmm? -130.84 125.39 33.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.454 ' HB3' ' CG ' ' A' ' 45' ' ' GLU . 9.1 pt20 -129.09 173.09 10.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -81.39 -62.58 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.598 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -160.55 -70.85 0.02 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.523 1.139 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -143.65 112.18 6.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -130.24 -74.34 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 108.315 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.42 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 1.1 mm-40 -139.63 -80.14 0.3 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 3.9 mm-40 -137.34 -168.79 2.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.257 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -43.78 148.63 0.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.528 ' H ' HG13 ' A' ' 35' ' ' VAL . 66.2 mm-40 -117.55 83.07 1.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.504 ' CD ' ' CG2' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -70.34 129.73 40.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -143.51 153.79 42.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.241 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -103.72 107.69 18.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.633 ' CE1' HD11 ' A' ' 56' ' ' LEU . 2.4 m-30 -94.94 125.41 39.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.995 HD11 HD22 ' A' ' 59' ' ' LEU . 1.8 mt -117.75 113.64 22.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.601 HD22 ' CZ3' ' A' ' 117' ' ' TRP . 5.5 tp -84.89 102.6 13.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.585 ' CE2' HG13 ' A' ' 57' ' ' ILE . 4.8 m-30 -84.51 2.86 39.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.761 ' CB ' HD11 ' A' ' 29' ' ' ILE . 1.1 p 74.32 43.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.05 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.4 t 173.81 -30.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.559 ' CG1' HD22 ' A' ' 25' ' ' LEU . 2.6 p -148.24 142.35 19.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.778 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.2 tm? -91.37 95.45 10.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.585 HG13 ' CE2' ' A' ' 52' ' ' PHE . 37.7 mm -76.51 131.13 35.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.68 ' O ' HD12 ' A' ' 59' ' ' LEU . 11.4 mtm -114.09 125.81 54.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.995 HD22 HD11 ' A' ' 50' ' ' LEU . 5.1 mp -121.71 159.05 27.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 p -152.2 135.07 15.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -96.09 98.93 10.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.35 163.51 26.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 67.34 5.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -128.86 -59.7 1.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.1 ttp -174.35 150.02 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.8 t -39.16 147.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 118.76 -176.97 16.29 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.12 . . . . 0.0 111.024 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.769 ' CD2' HD23 ' A' ' 59' ' ' LEU . 21.0 m-30 -117.28 151.61 36.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 111.014 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 16.0 ttt -118.34 116.91 27.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.468 ' OH ' ' CG ' ' A' ' 73' ' ' LYS . 11.7 t80 -68.87 134.61 49.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -134.53 78.65 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 74.11 166.67 14.68 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.468 ' CG ' ' OH ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -144.05 141.83 30.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 109.289 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.64 HD11 ' CD1' ' A' ' 104' ' ' ILE . 2.8 mt -113.68 121.58 36.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 129.12 12.03 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.498 1.788 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.852 HD13 ' SD ' ' A' ' 79' ' ' MET . 21.7 mm -58.64 -18.07 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.43 -68.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -78.25 3.52 62.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.454 1.096 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.852 ' SD ' HD13 ' A' ' 76' ' ' ILE . 21.7 ttm -73.44 134.55 43.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 0.737 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.1 t -122.94 106.68 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.804 HG21 HD22 ' A' ' 121' ' ' LEU . 5.0 t -101.84 153.98 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 54.4 p30 175.33 160.78 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -90.77 25.69 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' A' ' 94' ' ' PHE . 1.0 OUTLIER 44.56 71.08 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -79.32 0.33 29.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.935 ' C ' HD13 ' A' ' 87' ' ' ILE . 2.9 mt-10 -63.56 -12.22 30.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 0.0 110.28 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.935 HD13 ' C ' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -108.53 -145.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.532 ' H ' HG22 ' A' ' 87' ' ' ILE . 35.8 mt-10 -144.66 71.8 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 47.47 95.41 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.4 -63.07 1.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 0.742 . . . . 0.0 110.006 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -135.88 171.08 14.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.423 ' O ' ' CE1' ' A' ' 114' ' ' PHE . 98.4 m -97.54 73.99 2.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 108.285 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -137.98 179.82 6.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.679 ' HA ' HD12 ' A' ' 84' ' ' LEU . 3.5 p90 -155.5 168.18 27.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.985 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.579 ' HG3' HG23 ' A' ' 97' ' ' THR . 4.2 pt-20 -118.98 142.47 47.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.616 HD11 ' HE2' ' A' ' 94' ' ' PHE . 4.0 mt -119.27 91.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.601 HG22 ' HA ' ' A' ' 103' ' ' ARG . 73.1 p -96.25 -175.9 3.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.371 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 154.18 -21.85 0.66 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.427 ' O ' ' HB ' ' A' ' 100' ' ' THR . 0.1 OUTLIER -71.47 -67.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 110.009 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.556 ' O ' HG23 ' A' ' 101' ' ' VAL . 0.1 OUTLIER 175.15 -34.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.433 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.579 ' O ' ' C ' ' A' ' 102' ' ' GLU . 54.7 t -157.32 -42.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.579 ' C ' ' O ' ' A' ' 101' ' ' VAL . 25.1 tt0 -22.69 -66.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.34 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.601 ' HA ' HG22 ' A' ' 97' ' ' THR . 11.7 ttm180 66.13 140.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.733 HG23 ' HG3' ' A' ' 36' ' ' MET . 6.5 mt -116.39 127.44 74.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.5 t -104.98 97.21 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.513 HG13 HG21 ' A' ' 34' ' ' VAL . 22.0 t -83.4 118.61 31.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -90.24 121.41 32.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.597 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 19.2 m -113.94 173.59 6.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.276 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -146.07 -48.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.253 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.47 174.98 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -117.42 -55.39 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -61.66 2.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.06 -59.64 4.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.423 ' CE1' ' O ' ' A' ' 92' ' ' CYS . 65.2 t80 -41.74 -55.81 2.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -45.68 -61.36 1.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.261 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.553 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -38.39 -59.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 110.273 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.64 ' CZ2' ' O ' ' A' ' 30' ' ' PHE . 38.8 m95 -42.52 -51.33 5.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 107.974 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.41 ' SD ' ' CZ ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -59.25 -42.23 90.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -68.95 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.428 ' O ' ' HG ' ' A' ' 124' ' ' LEU . 0.6 OUTLIER -48.18 -59.34 3.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 110.28 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.804 HD22 HG21 ' A' ' 81' ' ' VAL . 12.1 mt -44.78 -55.08 5.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 121' ' ' LEU . 0.3 OUTLIER -39.06 -32.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.507 ' HG2' HD23 ' A' ' 124' ' ' LEU . 9.9 ttm105 -92.34 -59.78 2.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.345 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.706 HD13 ' HA ' ' A' ' 53' ' ' SER . 6.7 mt -45.73 -54.77 7.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.579 HG21 ' CG2' ' A' ' 81' ' ' VAL . 11.0 p -88.78 38.29 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.429 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.21 -68.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 18.2 t 58.87 101.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -141.96 -168.45 11.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.13 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 100.76 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.486 1.782 . . . . 0.0 111.061 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 99.9 p -108.99 120.84 43.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.958 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.44 97.99 5.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.975 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 t -102.42 149.38 24.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.744 . . . . 0.0 110.024 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 p -101.01 150.47 22.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.011 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.17 -124.84 2.8 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.5 m 63.19 134.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 0.0 110.051 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 m 61.84 150.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.97 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.48 73.92 0.41 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.436 ' C ' ' N ' ' A' ' 10' ' ' LEU . 1.7 mp0 -104.59 -56.96 2.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 110.311 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.715 HD13 ' HE2' ' A' ' 31' ' ' MET . 1.9 tt -43.3 -27.53 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.08 . . . . 0.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.436 ' N ' ' C ' ' A' ' 8' ' ' GLN . 0.3 OUTLIER -125.92 162.89 24.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m 74.71 -58.35 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.968 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -76.46 152.93 83.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 140.8 25.8 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 111.008 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.594 HD13 HD21 ' A' ' 59' ' ' LEU . 6.4 mt -83.97 137.44 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.421 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 4.6 tt0 -75.16 138.66 42.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 67.88 20.59 9.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.527 ' CZ2' HD12 ' A' ' 22' ' ' ILE . 73.6 t-105 -84.11 93.89 8.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 108.017 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.32 149.34 40.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.59 -65.77 0.59 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -177.7 -167.08 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 0.739 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.552 ' CB ' HG23 ' A' ' 24' ' ' THR . 1.1 m-20 -68.58 154.09 42.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.527 HD12 ' CZ2' ' A' ' 17' ' ' TRP . 9.5 tt -83.98 -27.68 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.51 -19.82 65.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.552 HG23 ' CB ' ' A' ' 21' ' ' ASP . 19.3 p -70.08 -25.67 63.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.414 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 70.1 mt -80.67 -71.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.83 -139.44 5.79 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.458 1.099 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.53 -167.79 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.806 HG22 ' CE1' ' A' ' 52' ' ' PHE . 78.0 t -113.54 104.2 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.58 HD11 ' HB3' ' A' ' 53' ' ' SER . 25.8 mt -55.91 -76.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.6 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -132.05 124.78 29.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.715 ' HE2' HD13 ' A' ' 9' ' ' ILE . 5.9 ptm -122.25 135.47 54.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.0 p -161.36 160.41 29.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.949 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -82.47 107.14 14.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.58 ' HB ' HG13 ' A' ' 106' ' ' VAL . 27.5 m -105.52 174.47 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.507 ' CG2' ' CD ' ' A' ' 46' ' ' GLU . 1.4 t -126.66 106.66 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.441 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 1.7 tmm? -127.62 121.64 31.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.449 ' CG ' ' HG3' ' A' ' 45' ' ' GLU . 21.3 tm0? -128.79 149.23 50.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.599 ' CG ' ' N ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -46.93 -88.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.64 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.599 ' N ' ' CG ' ' A' ' 38' ' ' HIS . . . -167.17 90.83 0.1 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 39' ' ' GLY . . . 76.58 120.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.404 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -170.18 -153.67 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 108.319 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -53.94 -82.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -142.32 -174.57 4.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -44.45 159.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.449 ' HG3' ' CG ' ' A' ' 37' ' ' GLN . 17.4 mt-10 -121.8 80.99 1.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.507 ' CD ' ' CG2' ' A' ' 35' ' ' VAL . 0.6 OUTLIER -66.91 130.08 41.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.9 mtm-85 -149.29 178.26 8.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -121.15 129.01 53.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.565 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 2.3 m-30 -116.55 114.07 23.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.682 HD11 HD22 ' A' ' 59' ' ' LEU . 1.2 mt -103.58 111.27 23.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.699 HD11 HD11 ' A' ' 76' ' ' ILE . 8.5 tp -88.82 111.95 22.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.806 ' CE1' HG22 ' A' ' 28' ' ' VAL . 8.0 m-30 -94.4 3.71 54.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.764 ' HA ' HD13 ' A' ' 124' ' ' LEU . 1.0 OUTLIER 75.0 37.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.043 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.69 -30.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 110.031 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.7 p -142.83 148.32 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.818 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.0 tm? -104.72 93.96 5.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.614 HG13 ' CE2' ' A' ' 52' ' ' PHE . 8.6 mm -77.04 126.07 37.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.664 ' O ' HD12 ' A' ' 59' ' ' LEU . 27.4 mtm -109.97 131.93 54.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.682 HD22 HD11 ' A' ' 50' ' ' LEU . 3.9 mp -123.61 160.77 26.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.6 m -137.59 130.97 30.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.07 -172.12 2.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.471 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.1 OUTLIER 172.92 -54.61 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.988 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.2 Cg_endo -74.95 -178.48 4.18 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.86 74.86 1.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 169.72 -35.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.09 -178.62 5.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.997 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.92 -125.91 3.3 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.574 1.171 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -131.69 155.36 47.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.783 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.413 ' O ' ' HA ' ' A' ' 59' ' ' LEU . 10.8 ttt -115.64 129.04 56.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -87.18 142.7 27.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 111.068 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -115.53 -72.09 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -138.76 179.32 18.62 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.0 pttt -145.72 134.52 22.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.669 HD11 HD12 ' A' ' 104' ' ' ILE . 9.4 mt -115.4 123.94 30.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 127.04 10.38 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.456 1.767 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.699 HD11 HD11 ' A' ' 51' ' ' LEU . 22.1 mm -46.03 -28.53 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.28 -72.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.37 -18.32 55.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.548 1.155 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.696 ' SD ' HD13 ' A' ' 76' ' ' ILE . 12.8 ttm -57.61 137.86 55.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 0.774 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.3 t -132.36 114.81 24.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.475 HG21 HD22 ' A' ' 121' ' ' LEU . 2.6 t -114.21 146.76 18.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.56 ' O ' ' C ' ' A' ' 83' ' ' ARG . 45.1 m-20 -170.59 39.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.56 ' C ' ' O ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER 25.15 49.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.516 ' CD2' ' C ' ' A' ' 94' ' ' PHE . 1.3 mm? 43.79 59.77 2.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.541 ' N ' ' O ' ' A' ' 82' ' ' ASN . 3.7 p30 167.06 139.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -72.83 -9.95 59.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.521 HG22 ' H ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -78.38 -143.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.521 ' H ' HG22 ' A' ' 87' ' ' ILE . 5.9 pt-20 -144.22 56.39 1.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . 144.17 -109.06 0.52 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.52 1.138 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.5 t 66.79 -71.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 0.802 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 89' ' ' GLY . 0.6 OUTLIER -111.11 177.03 4.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -113.12 86.99 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 108.272 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 171.44 158.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.516 ' C ' ' CD2' ' A' ' 84' ' ' LEU . 16.2 p90 -148.6 168.97 21.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.573 ' HG3' HG23 ' A' ' 97' ' ' THR . 4.4 pt-20 -125.69 154.14 42.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.526 HG23 ' HG3' ' A' ' 79' ' ' MET . 60.0 mt -125.65 91.11 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.573 HG23 ' HG3' ' A' ' 95' ' ' GLU . 62.3 p -99.22 -178.2 3.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.399 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -158.83 -76.36 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.0 t -144.36 31.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 109.997 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.1 p -136.27 -172.43 3.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 102' ' ' GLU . 10.6 m -115.29 -29.3 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 101' ' ' VAL . 0.1 OUTLIER -38.48 -46.35 1.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.438 ' HA ' HG22 ' A' ' 97' ' ' THR . 17.8 ttm105 61.53 135.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.669 HD12 HD11 ' A' ' 74' ' ' ILE . 4.2 mt -99.39 107.9 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.5 t -94.54 98.25 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.58 HG13 ' HB ' ' A' ' 34' ' ' VAL . 14.4 t -85.17 110.35 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -71.3 126.25 29.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.602 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 30.7 p -50.4 158.95 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 108.303 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.422 ' O ' ' ND2' ' A' ' 110' ' ' ASN . 44.7 t-20 -130.35 -45.96 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 1.6 m-80 -154.35 141.36 19.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 112' ' ' GLN . 0.6 OUTLIER -48.77 -71.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.44 ' NE2' ' OD1' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -36.43 -68.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.453 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -48.22 -64.08 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -40.27 -63.44 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -40.49 -53.7 2.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.443 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -49.05 -60.58 2.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.695 ' O ' HD12 ' A' ' 121' ' ' LEU . 44.3 m95 -43.84 -52.1 6.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 108.036 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.471 ' CE ' ' HB3' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -59.54 -43.74 93.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 110.979 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -68.25 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.501 ' OE1' ' CG2' ' A' ' 29' ' ' ILE . 9.0 pt20 -51.82 -56.93 10.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.695 HD12 ' O ' ' A' ' 117' ' ' TRP . 8.6 mt -45.29 -53.52 8.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -41.0 -29.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.44 ' CZ ' ' HB2' ' A' ' 123' ' ' ARG . 11.9 ttm105 -96.64 -59.37 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.764 HD13 ' HA ' ' A' ' 53' ' ' SER . 9.3 mt -42.67 -56.73 3.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 60.6 p -67.77 -42.94 80.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.02 53.6 7.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 24.8 t -122.52 149.02 44.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.966 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 124.65 162.08 11.27 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.431 1.082 . . . . 0.0 111.031 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 106.53 2.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.524 1.802 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.01 130.45 43.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.46 99.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 110.011 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.26 120.38 31.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.76 . . . . 0.0 109.981 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.66 160.25 41.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.011 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.27 114.36 3.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.148 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.3 p -154.41 145.16 22.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 0.78 . . . . 0.0 110.003 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -100.95 168.74 9.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.4 -120.61 0.87 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.536 1.147 . . . . 0.0 111.04 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.445 ' C ' ' N ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -131.19 -58.59 1.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 0.743 . . . . 0.0 110.335 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.467 HG21 ' HE1' ' A' ' 31' ' ' MET . 3.3 tt -40.54 -29.63 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.445 ' N ' ' C ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER -124.01 54.8 1.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 8' ' ' GLN . 1.8 t -178.87 -57.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.029 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -77.11 157.56 81.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 125.62 9.48 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.886 ' CD1' HD21 ' A' ' 59' ' ' LEU . 4.3 mt -71.25 124.01 26.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.722 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 4.1 tt0 -57.75 138.38 55.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.722 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 86.5 -39.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.581 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 31.8 t-105 -40.2 111.87 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 20' ' ' ASP . 29.8 mt-10 -70.76 164.69 24.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.258 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -50.87 93.05 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.128 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.0 t0 -165.17 169.11 16.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.845 ' O ' HG22 ' A' ' 24' ' ' THR . 51.4 m-20 -103.5 124.55 48.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.72 HG22 ' HD2' ' A' ' 23' ' ' LYS . 11.9 tt -84.16 -16.65 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.176 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.72 ' HD2' HG22 ' A' ' 22' ' ' ILE . 0.9 OUTLIER -91.51 -2.73 57.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.845 HG22 ' O ' ' A' ' 21' ' ' ASP . 5.1 t -89.47 -19.4 25.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 110.4 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 81.6 mt -70.68 -76.62 0.1 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.32 -118.46 0.48 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -150.22 134.81 17.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.789 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.791 HG22 ' HE1' ' A' ' 52' ' ' PHE . 64.9 t -60.29 92.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.253 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.718 HG22 ' N ' ' A' ' 30' ' ' PHE . 8.9 mt -55.08 -79.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.718 ' N ' HG22 ' A' ' 29' ' ' ILE . 14.2 t80 -131.39 126.25 34.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.467 ' HE1' HG21 ' A' ' 9' ' ' ILE . 4.4 ptm -126.22 142.86 51.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.8 t -161.06 160.93 31.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.986 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -76.85 106.25 8.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.432 ' HB ' HG13 ' A' ' 106' ' ' VAL . 22.8 m -108.27 173.1 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.504 ' CG2' ' CD ' ' A' ' 46' ' ' GLU . 2.1 t -124.54 110.81 26.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.5 ' HE2' ' CZ ' ' A' ' 49' ' ' PHE . 2.4 tmm? -132.22 125.95 32.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.88 163.38 13.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -80.37 -76.3 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.608 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.66 97.24 0.11 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 52.59 97.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.323 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.48 -75.34 0.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 108.265 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.407 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -143.47 -81.92 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.407 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 5.2 mm-40 -137.5 -168.89 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -43.5 148.55 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.172 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 36' ' ' MET . 42.9 mm-40 -121.82 88.12 2.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.504 ' CD ' ' CG2' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -69.62 138.43 53.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -157.62 172.13 19.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -115.58 131.52 56.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.675 ' C ' HD23 ' A' ' 50' ' ' LEU . 2.0 m-30 -118.82 123.5 44.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.815 HD11 HD22 ' A' ' 59' ' ' LEU . 0.5 OUTLIER -112.12 118.94 36.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.882 HD11 HD11 ' A' ' 76' ' ' ILE . 8.8 tp -95.36 115.95 28.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.791 ' HE1' HG22 ' A' ' 28' ' ' VAL . 8.1 m-30 -96.16 4.52 52.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.54 ' CB ' HD11 ' A' ' 29' ' ' ILE . 0.9 OUTLIER 76.27 33.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.38 -32.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.8 p -138.74 144.38 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.763 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.4 tm? -100.32 94.1 6.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.593 HG13 ' CE2' ' A' ' 52' ' ' PHE . 14.8 mm -76.12 133.42 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.582 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 30.8 mtm -118.24 130.69 56.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.886 HD21 ' CD1' ' A' ' 14' ' ' ILE . 2.8 mp -118.63 161.11 20.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.47 118.85 8.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.95 112.26 13.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.16 171.44 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.012 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 50.9 2.62 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.452 1.764 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 65' ' ' MET . 0.0 OUTLIER 173.04 37.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.427 ' HG3' ' N ' ' A' ' 66' ' ' SER . 13.7 ptm 37.13 -157.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.427 ' N ' ' HG3' ' A' ' 65' ' ' MET . 0.6 OUTLIER 64.64 114.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.965 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 58.15 153.85 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.13 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -111.0 163.17 14.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.408 ' O ' ' HA ' ' A' ' 59' ' ' LEU . 10.4 ttt -119.77 128.77 54.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.444 ' CD1' ' CE3' ' A' ' 17' ' ' TRP . 28.3 t80 -87.49 119.7 28.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -86.99 -69.61 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.241 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -148.62 -179.54 24.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -134.49 139.17 45.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.746 . . . . 0.0 109.264 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.684 HD11 HD12 ' A' ' 104' ' ' ILE . 8.5 mt -119.89 122.98 28.71 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 129.44 12.39 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.489 1.784 . . . . 0.0 111.032 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.882 HD11 HD11 ' A' ' 51' ' ' LEU . 28.9 mm -56.52 -22.9 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.85 -75.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.87 -15.48 62.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.567 1.167 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.706 ' SD ' HD13 ' A' ' 76' ' ' ILE . 6.4 ttm -54.37 135.36 45.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 0.765 . . . . 0.0 110.958 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.0 t -123.51 108.17 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.588 HG21 HD22 ' A' ' 121' ' ' LEU . 3.7 t -115.48 144.18 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.4 p30 178.11 133.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 84' ' ' LEU . 1.7 ttt180 -40.85 99.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.658 HD11 ' HB3' ' A' ' 95' ' ' GLU . 11.7 mt -40.41 -92.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 t0 56.13 17.73 2.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -87.39 -15.43 37.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.502 ' O ' ' CG2' ' A' ' 87' ' ' ILE . 1.4 mm -80.15 0.29 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 87' ' ' ILE . 4.8 pt-20 37.72 81.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 102.88 88.75 2.07 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 t -166.52 -78.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 0.79 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -177.77 175.49 1.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.355 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.517 ' O ' ' CZ ' ' A' ' 114' ' ' PHE . 27.0 p -86.55 72.54 10.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 108.323 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.609 ' CE ' HD13 ' A' ' 84' ' ' LEU . 8.6 ptt? -110.48 -172.43 2.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.428 ' CD2' ' SD ' ' A' ' 118' ' ' MET . 21.8 p90 -156.81 158.27 36.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.658 ' HB3' HD11 ' A' ' 84' ' ' LEU . 22.6 pt-20 -113.13 168.4 9.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.0 mt -131.61 91.69 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.965 HG22 ' HA ' ' A' ' 103' ' ' ARG . 70.6 p -106.03 179.71 4.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.385 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.2 -77.09 0.21 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 83.0 p -178.17 37.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 109.967 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.638 HG22 ' N ' ' A' ' 101' ' ' VAL . 8.5 m -159.96 -105.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.784 ' O ' HG12 ' A' ' 101' ' ' VAL . 30.8 t -140.06 56.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.584 ' CG ' ' O ' ' A' ' 102' ' ' GLU . 9.3 tt0 -118.63 14.43 13.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.965 ' HA ' HG22 ' A' ' 97' ' ' THR . 42.7 ttm180 -41.56 130.9 3.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.684 HD12 HD11 ' A' ' 74' ' ' ILE . 1.8 mt -128.99 109.61 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 25.0 t -89.06 99.27 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.432 HG13 ' HB ' ' A' ' 34' ' ' VAL . 24.0 t -87.71 114.94 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.152 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -91.82 165.27 13.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.547 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 175.61 151.58 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 108.276 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -109.08 -51.58 2.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.335 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -46.58 169.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -118.11 -50.15 2.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.86 -60.42 2.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.68 -61.09 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.577 ' CZ ' ' HG3' ' A' ' 118' ' ' MET . 34.5 t80 -44.71 -52.13 8.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -43.0 -66.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.5 OUTLIER -38.25 -61.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.619 ' HE3' HD11 ' A' ' 121' ' ' LEU . 60.6 m95 -44.17 -53.14 6.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 108.013 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.577 ' HG3' ' CZ ' ' A' ' 114' ' ' PHE . 94.3 mmm -64.97 -28.04 69.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.127 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -71.57 -55.25 8.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.334 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 123' ' ' ARG . 8.2 pt20 -64.86 -58.67 5.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.619 HD11 ' HE3' ' A' ' 117' ' ' TRP . 9.2 mt -46.87 -25.29 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.3 OUTLIER -68.15 -41.84 80.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.472 ' HG3' ' N ' ' A' ' 124' ' ' LEU . 4.5 ptm180 -91.77 -37.9 12.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.814 HD12 HD21 ' A' ' 51' ' ' LEU . 28.5 mt -55.23 -70.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 125' ' ' THR . 19.2 p -62.98 -46.35 88.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.378 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.84 107.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.57 118.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.034 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 160.73 157.2 8.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 155.48 42.7 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.13 100.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.1 t -53.77 113.81 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.985 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.7 t -89.92 -58.44 2.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 0.753 . . . . 0.0 109.976 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.71 169.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.965 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.13 62.86 0.44 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.1 t -150.7 164.66 35.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 110.01 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.86 -57.59 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.085 . . . . 0.0 110.032 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 37.73 -148.94 0.06 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 57.87 174.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 110.259 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.859 HG22 ' HG ' ' A' ' 10' ' ' LEU . 46.7 mm -48.23 -94.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.859 ' HG ' HG22 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -134.5 -65.99 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.458 ' H ' HD12 ' A' ' 10' ' ' LEU . 70.8 m -167.61 -65.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.95 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -41.76 155.43 0.23 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 155.47 43.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.525 1.802 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 1.017 HD13 HD21 ' A' ' 59' ' ' LEU . 7.3 mt -74.0 131.69 34.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 17' ' ' TRP . 5.4 tt0 -58.46 146.43 35.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 110.333 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.535 ' O ' ' C ' ' A' ' 17' ' ' TRP . . . 68.4 -67.19 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.754 ' CZ2' HD12 ' A' ' 22' ' ' ILE . 26.1 t-105 31.9 84.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' ASP . 3.4 mt-10 -38.25 146.68 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.56 95.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 18' ' ' GLU . 0.7 OUTLIER 177.97 151.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.417 ' HB2' ' CG2' ' A' ' 24' ' ' THR . 90.2 m-20 -91.0 145.56 24.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.754 HD12 ' CZ2' ' A' ' 17' ' ' TRP . 2.8 tt -95.35 -18.06 6.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -84.41 -10.28 57.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.417 ' CG2' ' HB2' ' A' ' 21' ' ' ASP . 10.7 p -86.27 -27.08 24.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.43 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.409 HD22 HG11 ' A' ' 55' ' ' VAL . 41.8 mt -75.52 -89.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.14 165.98 30.08 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -53.71 173.69 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.76 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.779 HG22 ' CE1' ' A' ' 52' ' ' PHE . 86.7 t -97.41 103.37 14.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.646 HD11 ' CB ' ' A' ' 53' ' ' SER . 18.9 mt -43.37 -77.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 109.343 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.612 ' N ' HG22 ' A' ' 29' ' ' ILE . 87.9 t80 -144.01 121.39 11.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.405 ' CE ' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -115.6 149.05 38.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 111.029 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.2 m -161.52 151.89 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.981 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -72.1 103.73 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.241 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.44 ' HB ' HG13 ' A' ' 106' ' ' VAL . 11.7 m -105.86 178.2 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.505 ' CG2' ' CD ' ' A' ' 46' ' ' GLU . 1.4 t -132.35 115.33 25.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.112 . . . . 0.0 109.242 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.445 ' HE2' ' CZ ' ' A' ' 49' ' ' PHE . 1.4 tmm? -134.53 117.14 15.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -124.78 -173.97 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.557 ' CD2' ' HB2' ' A' ' 41' ' ' CYS . 0.9 OUTLIER -112.63 -163.03 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.572 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 38' ' ' HIS . . . -37.58 -71.58 0.2 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.442 1.089 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -140.87 99.41 3.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.775 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.557 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . 0.5 OUTLIER -115.38 51.99 0.9 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 108.291 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 65.5 -75.96 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 41' ' ' CYS . 11.3 mt-10 -139.53 177.25 8.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.415 ' HB2' HG11 ' A' ' 35' ' ' VAL . 3.9 pttt -40.85 154.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 36' ' ' MET . 27.2 mm-40 -118.69 86.36 2.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.505 ' CD ' ' CG2' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -61.76 122.22 14.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.345 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -142.18 176.33 9.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.42 ' HD2' HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -123.69 131.24 53.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.781 ' C ' HD23 ' A' ' 50' ' ' LEU . 2.4 m-30 -116.16 123.42 47.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.781 HD23 ' C ' ' A' ' 49' ' ' PHE . 0.8 OUTLIER -110.22 119.21 38.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.581 HD22 HE21 ' A' ' 120' ' ' GLN . 6.1 tp -95.7 114.94 26.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.779 ' CE1' HG22 ' A' ' 28' ' ' VAL . 9.1 m-30 -98.01 4.43 49.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.646 ' CB ' HD11 ' A' ' 29' ' ' ILE . 1.1 p 73.91 41.29 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.995 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.58 -28.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 110.014 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.409 HG11 HD22 ' A' ' 25' ' ' LEU . 3.3 p -142.09 140.08 29.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.859 HD13 ' O ' ' A' ' 56' ' ' LEU . 1.7 tm? -100.98 94.04 5.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.654 HG13 ' CE2' ' A' ' 52' ' ' PHE . 4.7 mm -79.41 133.39 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.572 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 25.6 mtm -114.49 125.92 54.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 1.017 HD21 HD13 ' A' ' 14' ' ' ILE . 1.0 OUTLIER -115.23 162.41 17.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.0 118.49 9.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.995 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.56 44.97 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.474 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -59.09 -53.18 68.93 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 62' ' ' SER . 18.3 Cg_endo -75.01 106.94 2.37 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.536 1.808 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.42 125.03 22.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.416 ' O ' ' CB ' ' A' ' 66' ' ' SER . 9.1 tpt 59.0 86.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 65' ' ' MET . 3.9 t 165.13 60.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 44.97 -170.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 111.052 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -106.81 145.49 32.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.429 ' O ' ' HA ' ' A' ' 59' ' ' LEU . 26.5 ttt -100.19 149.7 23.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.438 ' HA ' HD12 ' A' ' 59' ' ' LEU . 9.9 t80 -106.71 132.87 52.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -103.99 -69.72 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.172 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -146.35 172.23 26.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.7 pttt -135.28 142.25 45.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.776 HD12 HD12 ' A' ' 56' ' ' LEU . 3.6 mt -113.35 116.47 46.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.416 ' C ' ' N ' ' A' ' 77' ' ' ALA . 18.3 Cg_endo -74.98 122.29 7.12 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.528 HD12 ' HB2' ' A' ' 124' ' ' LEU . 22.5 mm -40.13 -32.13 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 75' ' ' PRO . . . -63.86 127.35 31.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 77.49 -7.68 38.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.504 ' HE3' HG22 ' A' ' 74' ' ' ILE . 44.2 ttm -67.38 136.76 55.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.769 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.9 t -117.67 112.86 40.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.62 HG21 HD22 ' A' ' 121' ' ' LEU . 3.4 t -114.41 134.19 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 42.9 p30 174.7 147.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 85' ' ' ASP . 3.7 mtm180 -57.78 148.87 23.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.597 HD21 ' HB3' ' A' ' 95' ' ' GLU . 2.4 mm? -70.06 62.08 0.2 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 83' ' ' ARG . 0.5 OUTLIER -178.7 106.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.267 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.15 -9.55 32.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.357 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.521 HG22 ' H ' ' A' ' 88' ' ' GLU . 0.4 OUTLIER -73.21 -142.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.521 ' H ' HG22 ' A' ' 87' ' ' ILE . 11.0 mt-10 -145.02 160.23 41.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 40.38 38.96 1.53 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.525 1.14 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.6 t -119.94 55.56 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 0.756 . . . . 0.0 110.027 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.31 133.91 1.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.505 ' O ' ' CG ' ' A' ' 93' ' ' MET . 0.3 OUTLIER -179.71 67.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 108.313 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.505 ' CG ' ' O ' ' A' ' 92' ' ' CYS . 13.9 ptt? 43.12 -167.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.421 ' HE2' HD11 ' A' ' 96' ' ' ILE . 16.7 p90 -141.32 176.89 8.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.597 ' HB3' HD21 ' A' ' 84' ' ' LEU . 6.3 pt-20 -132.95 140.49 47.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.471 HD12 ' HE2' ' A' ' 49' ' ' PHE . 57.8 mt -109.44 99.65 9.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.49 HG22 ' HA ' ' A' ' 103' ' ' ARG . 31.7 p -115.76 -175.4 2.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 173.08 -104.94 0.2 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 54.6 p -96.23 39.89 1.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 0.782 . . . . 0.0 109.965 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.44 174.59 14.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 41.3 t -115.59 -28.3 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -39.02 -44.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.49 ' HA ' HG22 ' A' ' 97' ' ' THR . 15.2 ttm180 64.31 122.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.334 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.775 ' CD1' HD11 ' A' ' 74' ' ' ILE . 2.8 mt -90.35 110.32 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.437 HG13 ' SD ' ' A' ' 93' ' ' MET . 44.2 t -94.55 97.31 6.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.44 HG13 ' HB ' ' A' ' 34' ' ' VAL . 21.8 t -85.89 112.37 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -70.31 162.94 27.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.654 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.1 t -97.04 125.47 41.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 108.301 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.8 14.52 10.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -177.54 158.26 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -91.17 -51.26 5.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -61.35 2.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.24 -51.73 8.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.499 ' CE2' ' HG3' ' A' ' 118' ' ' MET . 93.4 t80 -49.47 -66.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -38.7 -44.42 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.258 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.29 -55.21 37.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.627 ' O ' HD12 ' A' ' 121' ' ' LEU . 53.9 m95 -54.35 -54.1 44.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 107.945 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.499 ' HG3' ' CE2' ' A' ' 114' ' ' PHE . 95.6 mmm -57.21 -20.39 26.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.47 -63.04 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.581 HE21 HD22 ' A' ' 51' ' ' LEU . 7.6 pt20 -50.95 -47.66 61.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.252 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.627 HD12 ' O ' ' A' ' 117' ' ' TRP . 4.9 mt -57.98 -41.25 82.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -27.88 55.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.654 ' HG2' HD23 ' A' ' 124' ' ' LEU . 12.6 ttt-85 -82.89 -55.4 4.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.256 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.679 HD23 ' N ' ' A' ' 124' ' ' LEU . 1.4 mt -52.75 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.438 ' OG1' ' N ' ' A' ' 126' ' ' LYS . 60.9 p -54.58 -70.68 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.415 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.438 ' N ' ' OG1' ' A' ' 125' ' ' THR . 0.0 OUTLIER 74.76 75.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.33 -54.99 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -65.8 158.31 47.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 145.83 31.71 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.49 1.784 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.24 -58.47 2.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.21 -61.22 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.987 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.46 166.33 10.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 0.745 . . . . 0.0 110.036 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.04 -56.48 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.68 -89.29 0.71 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.29 146.08 36.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 0.0 110.017 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.2 p -112.59 134.37 54.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.979 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.62 102.46 0.78 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.26 175.49 10.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.873 HG22 ' HG ' ' A' ' 10' ' ' LEU . 2.7 mt -120.65 -99.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.873 ' HG ' HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -130.65 -61.67 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.598 ' H ' HD12 ' A' ' 10' ' ' LEU . 0.5 OUTLIER 164.86 -64.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -45.28 152.51 0.62 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 110.332 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 168.81 24.01 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.989 ' CD1' HD21 ' A' ' 59' ' ' LEU . 8.1 mt -87.69 109.6 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.699 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -60.07 151.09 27.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 85.56 -37.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.53 ' CH2' HD12 ' A' ' 22' ' ' ILE . 30.3 t-105 -39.53 100.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -62.33 174.83 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 20' ' ' ASP . . . -54.23 110.67 1.64 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 2.6 m-20 156.21 139.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.665 ' HB2' HG23 ' A' ' 24' ' ' THR . 13.6 m-20 -82.71 152.44 25.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.53 HD12 ' CH2' ' A' ' 17' ' ' TRP . 7.1 tt -84.72 -33.37 8.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.36 -26.54 5.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.665 HG23 ' HB2' ' A' ' 21' ' ' ASP . 33.1 p -61.21 -33.54 73.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.467 HD13 HG11 ' A' ' 55' ' ' VAL . 39.7 mt -77.26 -61.11 2.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 157.86 -141.7 7.96 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.406 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 8.3 m-20 -110.78 -172.42 2.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.763 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.762 HG22 ' HE1' ' A' ' 52' ' ' PHE . 94.0 t -107.94 115.7 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.491 HD11 ' CB ' ' A' ' 53' ' ' SER . 29.1 mt -72.41 -72.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.464 ' N ' HG22 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -126.52 114.4 18.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.678 ' HE2' HD22 ' A' ' 50' ' ' LEU . 38.0 ttm -117.12 126.23 52.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.4 t -160.93 168.88 23.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.016 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -85.87 108.54 18.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.429 ' HB ' HG13 ' A' ' 106' ' ' VAL . 17.4 m -105.89 170.52 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.548 HG22 ' HG3' ' A' ' 46' ' ' GLU . 1.4 t -118.19 110.66 31.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.75 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.5 tmm? -139.27 123.29 17.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.79 -72.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -171.12 -74.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.584 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . 169.62 82.99 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 39' ' ' GLY . . . 66.8 130.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.2 t -178.75 -74.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 108.259 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.425 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 2.3 mp0 -127.15 -73.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 12.5 mm-40 -142.08 -168.34 2.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.0 ptpp? -84.81 138.2 32.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -103.6 91.72 4.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.548 ' HG3' HG22 ' A' ' 35' ' ' VAL . 11.4 mt-10 -69.07 144.93 53.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.446 ' NH1' ' OG ' ' A' ' 60' ' ' SER . 0.1 OUTLIER -162.79 176.96 9.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.417 ' O ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -114.0 131.55 56.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 111.03 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.677 ' HZ ' HD13 ' A' ' 104' ' ' ILE . 1.3 m-30 -120.19 116.83 26.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.78 HD11 HD22 ' A' ' 59' ' ' LEU . 0.6 OUTLIER -102.25 110.51 22.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.524 HD22 ' CE3' ' A' ' 117' ' ' TRP . 10.2 tp -85.77 108.52 18.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.762 ' HE1' HG22 ' A' ' 28' ' ' VAL . 7.9 m-30 -91.62 -3.82 55.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.865 ' HA ' HD13 ' A' ' 124' ' ' LEU . 0.3 OUTLIER 83.93 -13.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.031 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.27 7.9 2.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.042 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.516 HG21 ' HD2' ' A' ' 73' ' ' LYS . 6.8 p -177.88 146.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.788 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.3 tm? -109.03 94.34 4.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.595 HG13 ' CE2' ' A' ' 52' ' ' PHE . 7.0 mm -77.36 133.52 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.587 ' O ' HD12 ' A' ' 59' ' ' LEU . 8.2 mtm -114.95 128.17 56.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.989 HD21 ' CD1' ' A' ' 14' ' ' ILE . 2.1 mp -118.31 155.63 30.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.446 ' OG ' ' NH1' ' A' ' 47' ' ' ARG . 2.2 m -131.9 136.35 47.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.016 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -126.56 98.45 5.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.372 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 p -56.07 159.85 5.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.024 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 58.08 4.75 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 177.25 168.61 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.494 ' O ' ' CB ' ' A' ' 66' ' ' SER . 8.1 tpt -40.8 120.6 1.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 65' ' ' MET . 2.7 t 159.41 123.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 66' ' ' SER . . . -60.4 -133.58 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.745 ' HD2' HD23 ' A' ' 59' ' ' LEU . 13.8 m-30 -109.57 141.15 42.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 0.0 111.012 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.2 ttt -118.49 115.0 23.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.481 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 54.2 t80 -66.74 134.8 52.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -145.95 97.39 2.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.344 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 69.1 159.11 1.78 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.142 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.516 ' HD2' HG21 ' A' ' 55' ' ' VAL . 15.7 pttt -147.82 128.92 14.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.745 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.844 HD11 HD12 ' A' ' 104' ' ' ILE . 7.7 mt -98.13 109.77 53.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 130.98 13.76 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.531 1.806 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.844 HD13 ' SD ' ' A' ' 79' ' ' MET . 30.6 mm -49.39 -28.27 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.64 -64.64 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.425 ' O ' ' CA ' ' A' ' 98' ' ' GLY . . . -85.2 13.43 54.81 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.476 1.11 . . . . 0.0 111.043 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.844 ' SD ' HD13 ' A' ' 76' ' ' ILE . 35.5 ttm -82.29 125.54 31.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 111.049 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.8 t -114.18 108.15 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.732 HG21 HD22 ' A' ' 121' ' ' LEU . 3.9 t -108.53 143.63 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -175.53 165.85 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -90.49 33.48 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' ARG . 1.0 OUTLIER 40.56 55.68 2.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -97.49 13.27 30.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.754 ' C ' HD13 ' A' ' 87' ' ' ILE . 39.9 mt-10 -67.69 -8.02 31.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.761 ' N ' HD13 ' A' ' 87' ' ' ILE . 0.9 OUTLIER -97.73 -146.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.552 ' H ' HG22 ' A' ' 87' ' ' ILE . 22.7 mt-10 -117.76 99.79 7.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 55.35 66.28 2.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.3 t -134.24 90.66 2.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.993 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.407 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 0.6 OUTLIER -110.67 120.64 43.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 91' ' ' ASP . 0.1 OUTLIER 167.01 127.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.275 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 48.1 mtm 59.59 176.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.49 ' HE2' HD11 ' A' ' 96' ' ' ILE . 6.8 p90 -141.5 157.13 45.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.48 ' HB2' ' CG ' ' A' ' 103' ' ' ARG . 5.9 pt-20 -112.3 155.63 23.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.66 HG22 HD13 ' A' ' 74' ' ' ILE . 24.7 mt -129.42 99.52 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.798 HG22 ' HA ' ' A' ' 103' ' ' ARG . 52.6 p -115.12 -175.62 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.425 ' CA ' ' O ' ' A' ' 78' ' ' GLY . . . 154.93 -38.61 0.64 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.58 ' O ' HG23 ' A' ' 100' ' ' THR . 0.1 OUTLIER -52.13 -75.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 110.025 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 99' ' ' SER . 6.5 p -157.48 -78.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.436 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 14.2 m -117.24 -7.65 11.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -66.38 149.7 50.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.798 ' HA ' HG22 ' A' ' 97' ' ' THR . 22.6 ttm180 -141.71 138.2 32.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.844 HD12 HD11 ' A' ' 74' ' ' ILE . 2.5 mt -109.84 112.94 42.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.2 t -94.61 98.01 7.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.429 HG13 ' HB ' ' A' ' 34' ' ' VAL . 14.7 t -87.8 124.72 41.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -85.3 122.64 29.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.626 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 114' ' ' PHE . 32.1 p -52.24 133.28 34.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 108.294 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -91.57 -48.33 6.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.472 ' O ' ' CB ' ' A' ' 114' ' ' PHE . 0.5 OUTLIER -149.98 158.69 44.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.69 -64.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.25 -68.01 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.82 -62.5 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 108' ' ' CYS . 88.0 t80 -45.71 -66.29 0.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 111.007 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -42.2 -46.84 4.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.251 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.01 -61.87 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.817 ' O ' HD12 ' A' ' 121' ' ' LEU . 61.1 m95 -43.7 -53.31 5.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 108.034 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 1.1 mtp -59.45 -38.05 79.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.04 -69.67 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -55.1 12.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.817 HD12 ' O ' ' A' ' 117' ' ' TRP . 5.7 mt -47.13 -51.97 16.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.432 ' O ' ' CG ' ' A' ' 126' ' ' LYS . 0.3 OUTLIER -45.8 -27.81 0.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.447 ' NH1' ' HB2' ' A' ' 123' ' ' ARG . 11.1 ttm105 -94.29 -58.2 2.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.865 HD13 ' HA ' ' A' ' 53' ' ' SER . 9.5 mt -38.16 -69.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 50.4 p -52.6 -48.71 66.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.415 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.432 ' CG ' ' O ' ' A' ' 122' ' ' ASN . 0.0 OUTLIER -41.61 -66.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 55.6 m 60.03 115.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.011 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 118.85 159.19 10.99 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 129.79 12.66 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.8 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 13.1 p -75.44 -55.24 5.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.996 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.62 118.99 22.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.971 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.952 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.7 t -136.53 134.22 37.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.756 . . . . 0.0 109.972 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 p -96.75 143.11 27.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.018 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.3 157.02 22.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.444 1.09 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -62.69 153.79 31.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 0.754 . . . . 0.0 110.026 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 t -84.27 124.14 30.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.107 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.12 82.54 0.07 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -121.89 166.86 13.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.876 HG22 ' HG ' ' A' ' 10' ' ' LEU . 47.0 mm -52.75 -100.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.876 ' HG ' HG22 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -132.0 -60.07 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.71 -73.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.986 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -57.8 157.04 16.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 176.0 10.46 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.465 1.771 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.802 ' CD1' HD21 ' A' ' 59' ' ' LEU . 4.2 mt -84.49 159.08 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.556 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 8.0 tt0 -104.03 134.94 46.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 75.8 33.23 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.583 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 60.0 t-105 -89.7 119.49 30.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 107.971 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' ASP . 55.9 mt-10 -57.02 166.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.13 76.41 0.05 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 18' ' ' GLU . 8.1 p-10 -160.32 170.51 20.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 0.785 . . . . 0.0 109.245 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.906 ' O ' HG22 ' A' ' 24' ' ' THR . 1.0 OUTLIER -103.5 139.82 38.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.583 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 5.8 tt -80.41 -27.68 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -81.42 -5.25 57.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.906 HG22 ' O ' ' A' ' 21' ' ' ASP . 2.4 t -87.57 -27.55 22.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.9 mt -72.39 -67.82 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.24 156.43 10.71 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.465 1.103 . . . . 0.0 111.026 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 -57.71 155.59 9.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 0.768 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.868 HG22 ' CE1' ' A' ' 52' ' ' PHE . 95.8 t -82.37 108.5 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.675 HD11 ' CB ' ' A' ' 53' ' ' SER . 35.0 mt -59.97 -74.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.565 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.3 OUTLIER -125.43 122.02 35.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 111.024 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.526 ' HE3' HD22 ' A' ' 50' ' ' LEU . 37.4 ttm -122.63 117.64 26.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.82 171.68 15.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.017 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -94.32 107.1 19.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.355 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.484 ' HB ' ' CG1' ' A' ' 106' ' ' VAL . 10.6 m -109.9 178.17 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.506 ' CG2' ' CD ' ' A' ' 46' ' ' GLU . 1.6 t -126.08 113.68 35.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.701 ' HG3' HG23 ' A' ' 104' ' ' ILE . 2.8 tmm? -133.64 126.17 30.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.11 -179.48 4.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.685 ' CE1' ' HB3' ' A' ' 40' ' ' ALA . 14.2 p80 -101.67 -161.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.586 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.82 59.09 0.51 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.685 ' HB3' ' CE1' ' A' ' 38' ' ' HIS . . . -176.82 107.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 0.742 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.47 ' O ' ' O ' ' A' ' 42' ' ' GLU . 0.8 OUTLIER -46.99 -91.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 108.314 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER 44.3 99.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.292 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 42' ' ' GLU . 9.0 pt-20 45.5 -172.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.338 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.5 pttm -105.84 143.33 34.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 36' ' ' MET . 56.5 mm-40 -104.1 89.74 3.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.506 ' CD ' ' CG2' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -73.01 131.16 41.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -150.82 152.7 34.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -97.2 121.4 39.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.602 ' C ' HD23 ' A' ' 50' ' ' LEU . 1.7 m-30 -107.18 114.86 29.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.65 HD11 HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -105.46 110.77 23.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.881 HD11 HD11 ' A' ' 76' ' ' ILE . 6.7 tp -89.36 108.7 19.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.868 ' CE1' HG22 ' A' ' 28' ' ' VAL . 7.9 m-30 -90.88 4.3 52.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.745 ' HA ' HD13 ' A' ' 124' ' ' LEU . 1.0 OUTLIER 74.55 36.01 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.033 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.7 t -179.09 -32.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.016 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.445 HG21 ' CD ' ' A' ' 73' ' ' LYS . 7.1 p -141.5 147.96 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.681 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.7 tm? -102.98 94.17 5.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.606 HG13 ' CE2' ' A' ' 52' ' ' PHE . 14.2 mm -77.53 124.09 35.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.249 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.684 ' O ' HD12 ' A' ' 59' ' ' LEU . 39.9 mtm -108.73 134.48 51.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.802 HD21 ' CD1' ' A' ' 14' ' ' ILE . 5.4 mp -123.55 159.37 29.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 p -139.26 127.14 22.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -101.03 95.15 6.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.82 167.95 0.25 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 56.05 4.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.765 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -179.99 116.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.42 ' O ' ' HG3' ' A' ' 65' ' ' MET . 2.1 ptm -38.89 117.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 65' ' ' MET . 3.2 t 178.95 73.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.036 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 66' ' ' SER . . . 37.05 -153.44 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.5 ' CB ' HD23 ' A' ' 59' ' ' LEU . 31.0 m-85 -112.12 169.28 8.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 0.761 . . . . 0.0 110.954 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.0 ttt -133.39 124.09 26.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -76.2 118.14 18.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -94.94 -60.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 110.274 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.48 ' O ' ' CE ' ' A' ' 58' ' ' MET . . . -156.73 160.6 30.42 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.445 ' CD ' HG21 ' A' ' 55' ' ' VAL . 1.1 pttp -126.87 150.73 49.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 0.724 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.682 ' HB ' ' HE1' ' A' ' 79' ' ' MET . 9.3 mt -125.33 133.46 24.87 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.02 128.64 11.63 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.476 1.777 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.881 HD11 HD11 ' A' ' 51' ' ' LEU . 12.1 mm -55.68 -35.21 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.38 -87.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -42.99 -26.16 0.44 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.682 ' HE1' ' HB ' ' A' ' 74' ' ' ILE . 6.2 tpp -41.94 154.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 0.73 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.4 t -144.16 108.29 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.3 t -122.35 133.14 69.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -156.8 33.26 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 42.12 39.0 1.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.48 HD13 ' HA ' ' A' ' 84' ' ' LEU . 1.3 mm? 67.97 84.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -113.82 9.87 17.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -78.84 -1.31 34.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.551 HG22 ' H ' ' A' ' 88' ' ' GLU . 0.5 OUTLIER -111.68 -145.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.551 ' H ' HG22 ' A' ' 87' ' ' ILE . 74.3 mt-10 -142.18 57.5 1.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 113.28 97.6 2.29 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.19 111.41 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.973 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -126.04 117.76 23.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.254 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 17.8 t -177.74 -61.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 108.336 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -117.24 -169.35 1.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.438 ' HE2' HD11 ' A' ' 96' ' ' ILE . 4.3 p90 -148.98 160.34 43.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.588 ' HG3' HG23 ' A' ' 97' ' ' THR . 5.1 pt-20 -118.69 144.33 46.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.564 HD12 ' HE2' ' A' ' 49' ' ' PHE . 26.8 mt -114.96 95.82 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . 1.016 HG22 ' HA ' ' A' ' 103' ' ' ARG . 45.9 p -107.56 175.72 5.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.453 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -176.51 38.46 0.1 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.32 -173.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 0.779 . . . . 0.0 109.983 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.409 ' O ' HG23 ' A' ' 100' ' ' THR . 11.7 t -102.39 41.27 1.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.365 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 1.5 p -170.01 -42.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.85 155.73 22.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 1.016 ' HA ' HG22 ' A' ' 97' ' ' THR . 32.0 ttp180 -179.78 112.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.701 HG23 ' HG3' ' A' ' 36' ' ' MET . 4.4 mt -106.62 131.82 55.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 47.7 t -112.99 98.41 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.484 ' CG1' ' HB ' ' A' ' 34' ' ' VAL . 3.4 t -86.92 125.85 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -77.97 165.11 24.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.608 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 30.6 p -172.58 157.68 3.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 108.284 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -108.43 16.09 23.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 64.05 85.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -135.47 -175.77 4.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -27.8 65.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.98 -57.4 9.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -52.37 -62.25 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.2 -38.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.18 -53.39 55.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.78 ' O ' HD12 ' A' ' 121' ' ' LEU . 50.1 m95 -48.3 -43.19 32.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 107.982 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 88.2 mmm -69.9 -38.24 76.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 122' ' ' ASN . 0.0 OUTLIER -61.27 -52.38 64.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 110.253 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.512 ' O ' ' CG ' ' A' ' 123' ' ' ARG . 1.5 pt20 -66.83 -55.9 12.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.78 HD12 ' O ' ' A' ' 117' ' ' TRP . 7.9 mt -48.72 -25.66 1.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.3 OUTLIER -66.65 -26.72 67.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.73 ' HG3' HD23 ' A' ' 124' ' ' LEU . 0.6 OUTLIER -104.98 -26.7 12.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.745 HD13 ' HA ' ' A' ' 53' ' ' SER . 10.0 mt -72.68 -58.42 3.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 121' ' ' LEU . 19.6 p -68.3 -51.4 45.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 42.87 45.75 4.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 44.1 t -130.98 98.67 4.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.942 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 175.07 -175.33 47.09 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -49.47 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 179.38 -57.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.003 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.32 140.2 10.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.986 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -147.2 85.42 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.0 m -135.64 151.46 50.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.985 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.25 147.66 19.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.14 -55.55 2.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.968 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m 62.88 125.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.71 -154.77 25.72 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.421 ' C ' ' N ' ' A' ' 10' ' ' LEU . 1.7 mp0 -110.85 127.79 55.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.699 HD11 ' CE ' ' A' ' 31' ' ' MET . 3.7 tt -39.4 -32.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.636 HD12 ' H ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -151.4 -62.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.636 ' H ' HD12 ' A' ' 10' ' ' LEU . 61.1 m -157.48 -64.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.011 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -77.77 153.71 80.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -165.26 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.541 1.811 . . . . 0.0 111.039 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 1.003 ' CD1' HD21 ' A' ' 59' ' ' LEU . 4.4 mt -95.15 149.21 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -97.03 134.12 40.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 66.07 34.07 7.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 39.8 t-105 -62.61 152.23 35.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 108.023 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -157.0 177.73 11.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.03 74.57 0.41 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 49.5 -176.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 109.317 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.53 171.43 6.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.6 tt -89.39 -21.41 6.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.07 -4.21 58.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.3 p -97.94 -23.13 15.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.362 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.2 mt -69.33 -69.47 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 178.41 -123.19 0.85 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.137 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -141.8 145.99 35.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.842 HG22 ' HE1' ' A' ' 52' ' ' PHE . 85.7 t -70.55 95.38 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.7 HG22 ' N ' ' A' ' 30' ' ' PHE . 8.8 mt -48.31 -79.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.7 ' N ' HG22 ' A' ' 29' ' ' ILE . 43.2 t80 -137.42 121.47 17.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.699 ' CE ' HD11 ' A' ' 9' ' ' ILE . 1.6 ptm -114.86 146.39 41.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.5 m -161.35 154.76 21.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -74.79 104.73 5.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.463 ' HB ' ' CG1' ' A' ' 106' ' ' VAL . 10.3 m -106.88 179.16 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.429 HG22 ' CG ' ' A' ' 46' ' ' GLU . 2.2 t -133.26 115.14 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.873 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.6 tmm? -135.15 123.18 22.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.411 ' CB ' ' HB3' ' A' ' 45' ' ' GLU . 3.0 tm0? -128.61 169.81 13.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -111.82 105.53 14.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.628 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.12 -130.2 50.67 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -126.39 128.15 46.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 13.1 t -132.81 -63.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 108.295 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.424 ' C ' ' CG ' ' A' ' 43' ' ' GLU . 16.0 mt-10 -144.29 -59.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' CG ' ' C ' ' A' ' 42' ' ' GLU . 5.1 mt-10 -153.29 -178.06 6.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.35 155.52 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 36' ' ' MET . 4.7 tp10 -119.46 105.44 11.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.429 ' CG ' HG22 ' A' ' 35' ' ' VAL . 11.8 mt-10 -79.65 146.97 32.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.446 ' NH1' ' SD ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -162.72 172.77 14.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.273 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -120.33 119.54 33.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.744 ' C ' HD23 ' A' ' 50' ' ' LEU . 2.1 m-30 -103.7 127.31 51.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.798 HD11 HD22 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -115.89 114.92 25.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.805 HD21 HD12 ' A' ' 124' ' ' LEU . 7.4 tp -90.86 113.9 26.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.842 ' HE1' HG22 ' A' ' 28' ' ' VAL . 8.5 m-30 -97.58 4.02 50.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.528 ' HB3' HD11 ' A' ' 29' ' ' ILE . 1.1 p 74.26 41.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.028 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 171.4 -29.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.969 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.719 HG21 ' HD3' ' A' ' 73' ' ' LYS . 3.5 p -142.83 139.98 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.774 HD13 ' O ' ' A' ' 56' ' ' LEU . 1.7 tm? -100.99 95.79 6.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.594 HG13 ' CE2' ' A' ' 52' ' ' PHE . 8.4 mm -78.54 139.12 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.368 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.699 ' O ' HD12 ' A' ' 59' ' ' LEU . 9.5 mtm -120.15 127.16 52.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 111.042 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 1.003 HD21 ' CD1' ' A' ' 14' ' ' ILE . 6.5 mp -122.72 156.37 34.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.3 p -140.14 130.43 25.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.036 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.97 106.87 15.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.471 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.1 OUTLIER 172.96 -54.72 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.019 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.3 Cg_endo -75.02 -179.02 4.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 64.25 -76.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 63' ' ' PRO . 4.2 ttp -178.69 -65.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.1 t -148.52 -173.25 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.031 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 71.07 -131.91 20.96 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.472 ' CG ' HD23 ' A' ' 59' ' ' LEU . 39.8 m-85 -140.32 155.68 46.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 111.01 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.9 ttt -131.02 110.23 11.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -60.8 137.03 58.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -140.74 78.06 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 76.26 167.76 25.4 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.719 ' HD3' HG21 ' A' ' 55' ' ' VAL . 11.4 ptpt -149.3 132.64 16.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.675 HD11 ' CD1' ' A' ' 104' ' ' ILE . 4.4 mt -102.59 113.87 65.65 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 132.18 15.18 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.479 1.778 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.427 HD13 ' SD ' ' A' ' 79' ' ' MET . 21.3 mm -50.09 -41.48 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.82 121.77 7.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 84.83 -32.55 3.44 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.559 ' CE ' HG22 ' A' ' 74' ' ' ILE . 40.3 ttm -37.24 145.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 0.805 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.5 t -128.05 107.89 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.88 HG21 HD22 ' A' ' 121' ' ' LEU . 3.7 t -107.29 145.5 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 167.82 146.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 85' ' ' ASP . 12.7 ptt180 -72.89 57.02 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 mm? 57.07 -87.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 83' ' ' ARG . 5.8 t0 61.28 14.68 5.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.888 ' C ' HD13 ' A' ' 87' ' ' ILE . 9.1 mt-10 -103.18 -5.1 23.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.888 HD13 ' C ' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -105.48 -145.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.535 ' H ' HG22 ' A' ' 87' ' ' ILE . 46.0 mt-10 -148.03 131.46 16.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 43.06 54.08 5.36 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.61 72.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 110.008 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -130.15 112.48 13.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.345 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 3.6 p -145.88 -50.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 108.287 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -97.75 -179.13 4.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.48 ' CD1' ' N ' ' A' ' 94' ' ' PHE . 2.9 p90 -130.21 176.64 7.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.429 ' HG3' HG23 ' A' ' 97' ' ' THR . 3.5 pt-20 -129.0 145.01 51.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 110.264 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.1 mt -119.73 99.39 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.984 HG22 ' HA ' ' A' ' 103' ' ' ARG . 11.3 p -113.26 -175.02 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.389 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -139.83 -72.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.051 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.421 ' O ' ' HB ' ' A' ' 100' ' ' THR . 28.4 t -100.51 -75.85 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.754 . . . . 0.0 109.975 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 99' ' ' SER . 1.3 t 179.88 53.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.426 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.672 HG22 ' O ' ' A' ' 101' ' ' VAL . 2.5 p -178.77 52.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.369 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' ' 103' ' ' ARG . 0.3 OUTLIER -146.99 -70.62 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.262 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.984 ' HA ' HG22 ' A' ' 97' ' ' THR . 22.0 ttt180 43.03 94.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.873 HG23 ' HG3' ' A' ' 36' ' ' MET . 6.7 mt -103.67 106.53 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 28.7 t -82.69 98.19 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.594 HG23 HG22 ' A' ' 104' ' ' ILE . 43.2 t -91.65 115.45 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -72.28 162.83 28.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.596 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 109' ' ' ASN . 5.8 p -170.15 -47.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 108.311 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 108' ' ' CYS . 4.8 t-20 82.33 18.56 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 65.25 85.57 0.14 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -131.24 -172.62 2.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.6 -63.84 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -40.2 -52.14 2.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.575 ' CE1' ' HG3' ' A' ' 118' ' ' MET . 23.3 t80 -48.4 -59.6 3.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -38.09 -64.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.321 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.7 OUTLIER -42.28 -58.14 2.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.73 ' O ' HD12 ' A' ' 121' ' ' LEU . 59.4 m95 -47.59 -47.33 28.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 108.002 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.575 ' HG3' ' CE1' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -67.57 -26.24 66.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 0.0 111.041 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -70.65 -53.43 15.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.295 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 123' ' ' ARG . 6.9 pt20 -68.58 -55.88 10.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.88 HD22 HG21 ' A' ' 81' ' ' VAL . 5.8 mt -49.5 -24.02 1.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.4 OUTLIER -69.65 -28.1 65.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 120' ' ' GLN . 2.5 ptp180 -105.68 -36.43 7.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.805 HD12 HD21 ' A' ' 51' ' ' LEU . 23.2 mt -56.59 -81.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.436 HG23 ' H ' ' A' ' 125' ' ' THR . 71.1 p -42.39 -43.81 3.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.364 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -39.96 -68.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 50.6 m 60.51 166.44 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 123.26 177.42 15.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 68.49 5.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.4 t -91.5 -55.38 3.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.61 93.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.015 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.6 p -129.63 118.47 22.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 0.796 . . . . 0.0 110.002 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -78.2 166.74 22.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.0 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.07 99.4 2.56 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.69 -58.06 2.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 110.047 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.1 m -101.08 169.5 8.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.49 -135.28 1.2 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.147 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 10' ' ' LEU . 40.0 mt-30 60.27 172.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.834 HD11 ' CE ' ' A' ' 31' ' ' MET . 24.1 mm 66.64 -72.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.752 ' HG ' HG22 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -121.16 52.26 1.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.18 -60.97 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -79.7 154.33 75.89 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 128.65 11.64 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.484 1.781 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.895 HD13 HD21 ' A' ' 59' ' ' LEU . 5.5 mt -85.17 110.95 19.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.719 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 4.4 tt0 -49.67 134.76 19.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 86.5 -42.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.571 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 31.6 t-105 -39.54 114.4 0.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 107.989 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -155.31 137.51 14.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.078 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.72 -94.95 0.5 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -100.54 165.58 11.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.786 ' O ' HG22 ' A' ' 24' ' ' THR . 1.6 m-20 -79.02 169.16 18.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.571 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 3.7 tt -92.79 -33.17 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.582 ' HD3' HD22 ' A' ' 10' ' ' LEU . 6.5 mmmt -73.91 -7.1 51.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.786 HG22 ' O ' ' A' ' 21' ' ' ASP . 6.7 t -87.74 -24.57 23.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.4 mt -77.49 -77.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 174.36 164.55 29.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -61.31 170.68 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.681 HG22 ' HE1' ' A' ' 52' ' ' PHE . 74.1 t -93.19 102.1 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.651 HD11 ' HB3' ' A' ' 53' ' ' SER . 44.1 mt -54.13 -78.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.57 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.5 OUTLIER -129.09 126.25 38.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 111.025 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.834 ' CE ' HD11 ' A' ' 9' ' ' ILE . 13.1 ptm -127.15 127.5 44.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.7 p -154.57 150.88 28.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.04 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -73.46 104.82 4.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 46' ' ' GLU . 15.2 m -105.3 177.57 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 t -126.41 112.71 30.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.832 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.7 tmm? -133.09 123.69 26.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.457 ' HB3' ' CG ' ' A' ' 45' ' ' GLU . 4.9 pt20 -128.91 -174.47 3.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.461 ' CE1' ' OE2' ' A' ' 102' ' ' GLU . 3.8 t-80 -99.54 -59.17 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.575 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -157.42 -125.5 0.85 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.78 86.46 2.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.1 m -108.6 177.03 4.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 108.258 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.24 -72.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' LYS . 12.9 mt-10 -142.95 178.57 7.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' GLU . 38.2 mttm -39.61 140.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.457 ' CG ' ' HB3' ' A' ' 37' ' ' GLN . 5.8 mm-40 -103.44 82.41 2.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 34' ' ' VAL . 1.4 mt-10 -70.03 140.07 52.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 0.0 OUTLIER -154.37 174.64 14.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.415 ' O ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -119.67 118.77 31.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 111.018 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.543 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 2.1 m-30 -107.37 118.16 35.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.817 HD11 HD22 ' A' ' 59' ' ' LEU . 1.6 mt -108.55 110.18 21.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.77 HD21 HD12 ' A' ' 124' ' ' LEU . 7.0 tp -85.8 112.77 21.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.681 ' HE1' HG22 ' A' ' 28' ' ' VAL . 6.8 m-30 -94.56 4.43 53.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.651 ' HB3' HD11 ' A' ' 29' ' ' ILE . 1.3 p 74.4 42.5 0.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.64 -28.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.006 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.475 HG21 ' HD3' ' A' ' 73' ' ' LYS . 5.6 p -143.03 144.66 23.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.749 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.2 tm? -102.72 94.37 5.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.619 HG22 HD13 ' A' ' 59' ' ' LEU . 15.1 mm -77.35 130.38 36.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.651 ' O ' HD12 ' A' ' 59' ' ' LEU . 32.5 mtm -112.74 121.93 46.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.895 HD21 HD13 ' A' ' 14' ' ' ILE . 3.7 mp -122.07 160.14 25.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 47' ' ' ARG . 22.7 t -150.25 153.9 37.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.04 98.05 5.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.68 168.35 12.8 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.974 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 69.81 5.49 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.535 1.808 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.97 -58.21 1.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 169.69 -35.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.66 -176.35 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.993 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.8 146.2 19.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.638 ' CD2' HD23 ' A' ' 59' ' ' LEU . 12.3 m-30 -106.48 135.15 48.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 110.983 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.402 ' O ' ' HA ' ' A' ' 59' ' ' LEU . 14.0 ttt -105.62 125.59 51.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.503 ' CD1' ' CE3' ' A' ' 17' ' ' TRP . 68.8 t80 -88.18 106.64 18.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.413 ' HG2' ' NH2' ' A' ' 47' ' ' ARG . 6.8 mm-40 -80.11 -67.81 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -151.43 174.67 30.54 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.475 ' HD3' HG21 ' A' ' 55' ' ' VAL . 2.4 ptpt -130.91 152.53 50.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.602 ' CG2' ' CE ' ' A' ' 79' ' ' MET . 6.3 mt -131.77 121.61 18.17 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.13 8.4 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.782 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.731 HD11 HD11 ' A' ' 51' ' ' LEU . 32.0 mm -50.23 -25.56 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.73 -67.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.65 -6.7 59.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.602 ' CE ' ' CG2' ' A' ' 74' ' ' ILE . 4.5 ttm -70.72 134.87 47.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 110.984 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.1 t -124.16 109.21 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.483 ' HB ' HG21 ' A' ' 125' ' ' THR . 3.1 t -117.27 147.49 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.463 ' O ' HD12 ' A' ' 84' ' ' LEU . 7.0 p30 177.24 128.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 85' ' ' ASP . 0.2 OUTLIER -40.99 114.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.988 HD11 ' HG2' ' A' ' 95' ' ' GLU . 8.7 mp -67.66 70.81 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 83' ' ' ARG . 5.2 t0 -118.33 14.3 13.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.705 ' C ' HD13 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -64.24 -10.85 26.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 110.288 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.763 ' N ' HD13 ' A' ' 87' ' ' ILE . 0.9 OUTLIER -95.43 -146.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.562 ' H ' HG22 ' A' ' 87' ' ' ILE . 5.8 pt-20 -103.93 46.6 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . 96.34 -83.51 0.81 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.123 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.8 t 66.59 -74.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 110.025 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 89' ' ' GLY . 12.7 t0 -179.75 164.82 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.6 m -55.6 -100.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 108.27 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 84.8 mtp 51.23 175.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.711 ' HA ' HD13 ' A' ' 84' ' ' LEU . 3.1 p90 -162.4 174.37 12.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.988 ' HG2' HD11 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -128.01 155.15 44.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.584 HG23 ' SD ' ' A' ' 79' ' ' MET . 16.2 mt -128.22 91.9 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.373 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.824 HG23 ' OE2' ' A' ' 95' ' ' GLU . 15.7 p -102.7 -175.44 2.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.435 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 111.72 98.46 2.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.8 p 179.55 -59.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.716 HG23 HG12 ' A' ' 101' ' ' VAL . 11.5 t -167.17 -48.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.362 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.716 HG12 HG23 ' A' ' 100' ' ' THR . 2.5 p -179.14 57.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.461 ' OE2' ' CE1' ' A' ' 38' ' ' HIS . 4.7 tp10 -141.46 142.97 33.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.439 ' HA ' HG22 ' A' ' 97' ' ' THR . 10.6 ttm180 -123.2 132.84 54.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.832 HG23 ' HG3' ' A' ' 36' ' ' MET . 9.2 mt -105.99 116.97 50.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.463 ' O ' HG12 ' A' ' 105' ' ' VAL . 2.9 t -98.05 98.01 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.559 ' HB ' ' CE1' ' A' ' 94' ' ' PHE . 17.1 t -82.72 109.15 16.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.231 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.4 ' O ' ' SG ' ' A' ' 108' ' ' CYS . 4.4 m-70 -70.11 147.1 50.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.599 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 107' ' ' HIS . 0.8 OUTLIER 167.51 88.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 108.274 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 -40.23 -54.61 2.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.7 t30 173.02 156.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 114' ' ' PHE . 0.7 OUTLIER 167.12 142.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 0.0 109.254 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -42.98 -30.64 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.77 -50.0 66.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.475 ' CE2' ' HG3' ' A' ' 118' ' ' MET . 52.5 t80 -53.25 -48.86 67.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -45.37 -54.26 7.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 119' ' ' GLU . 1.5 tt0 -49.57 -58.06 5.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.648 ' HE3' HD11 ' A' ' 121' ' ' LEU . 61.1 m95 -44.55 -50.81 9.42 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.475 ' HG3' ' CE2' ' A' ' 114' ' ' PHE . 89.2 mmm -67.54 -29.0 68.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -71.83 -51.54 21.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.459 ' O ' ' CG ' ' A' ' 123' ' ' ARG . 9.1 pt20 -67.62 -56.49 9.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.332 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.648 HD11 ' HE3' ' A' ' 117' ' ' TRP . 7.9 mt -50.05 -23.88 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 118' ' ' MET . 0.3 OUTLIER -70.14 -30.12 67.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.459 ' CG ' ' O ' ' A' ' 120' ' ' GLN . 12.2 ptm180 -102.98 -38.35 7.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.77 HD12 HD21 ' A' ' 51' ' ' LEU . 18.9 mt -53.5 -74.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.483 HG21 ' HB ' ' A' ' 81' ' ' VAL . 69.9 p -46.07 -57.87 4.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.418 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -169.86 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 44.2 t -134.42 94.51 3.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 110.012 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -54.62 153.87 9.87 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.532 1.145 . . . . 0.0 111.04 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 131.46 14.32 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.444 1.76 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.51 88.66 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.8 t -94.01 -58.63 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.112 . . . . 0.0 110.975 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 m -72.42 160.58 32.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 109.991 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.63 164.91 4.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.85 64.5 0.52 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.461 1.101 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.86 101.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 0.801 . . . . 0.0 109.999 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 p -139.55 159.76 41.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.981 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.62 118.18 0.6 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -117.31 -179.06 3.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.783 . . . . 0.0 110.307 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.442 HD11 HD13 ' A' ' 50' ' ' LEU . 13.5 mm -69.64 152.03 9.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.752 HD12 ' N ' ' A' ' 11' ' ' SER . 3.7 pp -40.39 -56.66 1.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.752 ' N ' HD12 ' A' ' 10' ' ' LEU . 0.5 OUTLIER 166.35 -66.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.985 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.474 ' H ' HD12 ' A' ' 10' ' ' LEU . 7.1 mt-10 -43.81 166.36 0.11 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 147.02 33.65 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.507 1.793 . . . . 0.0 111.061 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.761 ' CD1' HD21 ' A' ' 59' ' ' LEU . 9.3 mt -71.68 132.83 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -67.41 153.16 44.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 50.84 51.66 16.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.566 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 68.5 t-105 -99.92 137.45 38.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 108.002 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -141.65 138.74 32.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.259 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 145.66 -117.04 0.94 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.39 -50.7 1.0 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.952 ' O ' HG22 ' A' ' 24' ' ' THR . 0.2 OUTLIER -173.47 143.31 1.04 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.362 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.566 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 9.9 tt -74.44 -15.12 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -92.65 -6.58 49.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.952 HG22 ' O ' ' A' ' 21' ' ' ASP . 4.3 t -88.26 -24.81 23.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.406 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.5 mt -73.85 -81.85 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.01 162.79 28.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -60.43 167.44 2.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.808 HG22 ' CE1' ' A' ' 52' ' ' PHE . 64.9 t -94.24 102.07 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.599 HG22 ' N ' ' A' ' 30' ' ' PHE . 13.7 mt -55.62 -78.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.599 ' N ' HG22 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -121.07 121.68 38.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.705 ' HG3' HD22 ' A' ' 50' ' ' LEU . 11.9 ttm -125.51 127.94 47.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.39 172.17 17.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -85.91 106.64 17.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.43 ' HB ' ' CG1' ' A' ' 106' ' ' VAL . 4.2 m -106.14 176.65 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.541 HG22 ' HA ' ' A' ' 46' ' ' GLU . 2.1 t -131.86 118.85 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.863 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.2 tmm? -138.83 119.31 13.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -112.72 149.27 33.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.343 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -79.02 -68.45 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.586 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -136.25 -124.52 2.38 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.473 1.108 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -111.28 112.31 23.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 0.8 . . . . 0.0 109.252 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.7 t -126.8 -74.11 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 108.315 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.416 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 0.6 OUTLIER -137.17 -79.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.261 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.416 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 5.1 mm-40 -138.78 -169.67 2.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -47.35 147.48 1.6 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 36' ' ' MET . 17.6 tt0 -111.11 98.68 7.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.541 ' HA ' HG22 ' A' ' 35' ' ' VAL . 1.2 tm-20 -82.39 130.15 35.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 110.249 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.96 178.93 8.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -117.56 134.46 54.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.993 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.8 ' C ' HD23 ' A' ' 50' ' ' LEU . 1.6 m-30 -120.58 125.32 47.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.822 HD11 HD22 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -115.25 112.57 22.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.609 HD11 HD11 ' A' ' 76' ' ' ILE . 6.3 tp -87.22 113.56 23.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.808 ' CE1' HG22 ' A' ' 28' ' ' VAL . 6.3 m-30 -99.75 5.86 45.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.941 ' HA ' HD13 ' A' ' 124' ' ' LEU . 48.2 t 68.5 40.5 1.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.955 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 t 178.71 -30.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.034 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.3 p -148.41 146.63 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.641 HD11 ' CE1' ' A' ' 49' ' ' PHE . 3.1 tm? -99.75 93.75 5.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.584 HG13 ' CE2' ' A' ' 52' ' ' PHE . 26.2 mm -75.71 129.27 37.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.68 ' O ' HD12 ' A' ' 59' ' ' LEU . 18.5 mtm -113.11 133.61 54.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.822 HD22 HD11 ' A' ' 50' ' ' LEU . 5.9 mp -122.39 159.17 28.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.7 m -141.37 133.84 28.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.74 -173.71 2.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.469 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.1 OUTLIER 173.23 -55.13 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.469 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.4 Cg_endo -75.0 -174.36 1.91 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.4 ' O ' ' CG ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -133.48 67.8 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.29 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.9 ptm 173.06 -35.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.01 158.04 25.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.984 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.72 -118.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.459 ' CG ' HD23 ' A' ' 59' ' ' LEU . 13.9 m-85 -127.2 170.65 12.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.746 . . . . 0.0 111.051 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.0 ttt -127.4 115.96 19.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.469 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 2.7 t80 -67.49 140.92 57.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -144.0 95.11 2.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.277 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 61.66 163.97 0.28 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.3 pttt -149.78 125.49 10.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.623 HD11 ' CD1' ' A' ' 104' ' ' ILE . 7.9 mt -98.92 121.81 54.7 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 127.45 10.67 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.899 HD13 ' SD ' ' A' ' 79' ' ' MET . 16.2 mm -56.98 -24.39 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.9 -67.64 0.25 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -88.03 24.47 11.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.899 ' SD ' HD13 ' A' ' 76' ' ' ILE . 35.9 ttm -90.71 131.56 36.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 41.5 t -113.7 108.11 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.799 HG21 HD22 ' A' ' 121' ' ' LEU . 4.0 t -102.36 149.95 6.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -179.54 146.48 0.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -85.77 47.56 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.277 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.498 HD21 ' HB3' ' A' ' 95' ' ' GLU . 4.0 mm? 40.24 67.49 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -82.18 4.29 23.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -69.53 -6.79 33.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.58 -145.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.357 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -154.01 117.18 4.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.47 62.05 6.41 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 110.97 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.7 m -157.96 96.34 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 110.014 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -126.12 104.98 8.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -176.45 37.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 108.274 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.7 ptm 172.9 176.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.518 ' HE2' HD11 ' A' ' 96' ' ' ILE . 2.2 p90 -160.06 164.86 32.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.498 ' HB3' HD21 ' A' ' 84' ' ' LEU . 22.0 pt-20 -124.75 132.13 53.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.518 HD11 ' HE2' ' A' ' 94' ' ' PHE . 76.7 mt -102.63 96.69 4.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . 1.018 HG22 ' HA ' ' A' ' 103' ' ' ARG . 49.0 p -105.87 -175.57 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.414 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -148.26 -47.14 0.03 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.652 ' O ' HG23 ' A' ' 101' ' ' VAL . 0.2 OUTLIER -141.89 44.96 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 0.796 . . . . 0.0 109.988 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 41.4 p 45.63 41.92 7.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.411 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 99' ' ' SER . 58.8 t -142.09 -45.82 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 103' ' ' ARG . 4.4 tp10 -61.16 -65.27 0.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 1.018 ' HA ' HG22 ' A' ' 97' ' ' THR . 11.9 ttt180 49.04 99.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.863 HG23 ' HG3' ' A' ' 36' ' ' MET . 6.2 mt -112.08 109.82 29.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 40.7 t -90.27 97.84 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.506 ' HB ' ' CE1' ' A' ' 94' ' ' PHE . 20.8 t -84.36 137.81 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -108.36 164.93 11.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.577 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 176.47 133.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 108.251 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -100.22 -43.46 6.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.435 ' O ' ' CB ' ' A' ' 111' ' ' ASN . 9.1 m-80 -43.68 -48.14 7.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 110' ' ' ASN . 1.6 t30 77.14 -57.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.43 -47.39 1.8 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 2.4 m-20 -67.59 -58.74 4.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 117' ' ' TRP . 6.0 t80 -45.7 -54.87 7.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -38.75 -38.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.58 -50.38 45.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.836 ' O ' HD12 ' A' ' 121' ' ' LEU . 42.1 m95 -44.97 -44.09 9.57 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 87.7 mmm -63.36 -41.0 98.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -68.33 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.341 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.407 ' O ' ' HG ' ' A' ' 124' ' ' LEU . 0.8 OUTLIER -49.1 -57.55 6.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.317 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.836 HD12 ' O ' ' A' ' 117' ' ' TRP . 8.3 mt -45.61 -52.73 10.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -42.45 -28.63 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.408 ' N ' ' C ' ' A' ' 121' ' ' LEU . 29.8 ttt180 -95.83 -59.52 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.941 HD13 ' HA ' ' A' ' 53' ' ' SER . 8.2 mt -43.07 -70.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.591 HG21 ' CG2' ' A' ' 81' ' ' VAL . 43.0 p -57.11 -49.84 74.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.1 mttm 62.84 82.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.51 141.46 28.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 50.98 -149.93 6.72 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.147 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -40.2 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.2 t 46.57 88.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.041 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.38 168.97 14.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.016 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 0.0 111.035 179.969 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.58 -74.33 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 110.017 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 m -130.67 152.62 49.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.999 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.26 117.48 0.46 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.454 1.097 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.22 -54.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 0.728 . . . . 0.0 109.997 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.05 -53.94 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.961 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' HA2' HD11 ' A' ' 10' ' ' LEU . . . 113.64 66.01 0.46 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.445 1.091 . . . . 0.0 111.037 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.422 ' C ' ' N ' ' A' ' 10' ' ' LEU . 2.1 mt-30 -127.52 -60.69 1.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.636 HD13 ' CE ' ' A' ' 31' ' ' MET . 2.6 tt -41.64 -28.88 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.422 ' N ' ' C ' ' A' ' 8' ' ' GLN . 0.3 OUTLIER -113.42 54.3 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 8' ' ' GLN . 0.5 OUTLIER -145.66 -51.15 0.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.961 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -110.83 160.81 27.4 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 164.34 33.57 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.982 ' CD1' HD21 ' A' ' 59' ' ' LEU . 4.6 mt -84.76 151.15 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.652 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 12.1 tt0 -92.22 129.86 38.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 80.65 23.32 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.608 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 60.8 t-105 -79.16 115.34 18.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 108.026 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -127.09 126.64 43.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.35 -153.77 17.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -65.24 -161.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 0.765 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.541 ' O ' HG22 ' A' ' 24' ' ' THR . 1.8 m-20 -82.86 175.56 9.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.608 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 5.0 tt -97.18 -23.35 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -91.92 -2.85 56.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.541 HG22 ' O ' ' A' ' 21' ' ' ASP . 14.8 t -94.24 -22.52 18.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.444 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.403 HD13 HG11 ' A' ' 55' ' ' VAL . 45.7 mt -67.1 -80.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.76 45.78 0.21 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.563 1.164 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.604 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER 44.37 -166.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.924 HG22 ' CE1' ' A' ' 52' ' ' PHE . 65.4 t -116.98 116.9 53.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.535 HG22 ' N ' ' A' ' 30' ' ' PHE . 21.1 mt -78.17 -73.98 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 113' ' ' ASP . 0.3 OUTLIER -126.75 121.79 32.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.636 ' CE ' HD13 ' A' ' 9' ' ' ILE . 5.5 ptm -128.04 133.48 49.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 111.045 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.37 168.17 24.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -86.39 106.33 17.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.565 ' HB ' HG13 ' A' ' 106' ' ' VAL . 21.7 m -108.05 171.24 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.572 HG23 ' HG2' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -121.3 109.88 26.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 45' ' ' GLU . 1.3 tmm? -133.46 119.53 19.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.47 147.59 50.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -42.96 -64.2 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.549 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -168.81 -81.09 0.05 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -126.55 86.95 2.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 0.789 . . . . 0.0 109.28 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 58.2 m -106.52 -72.98 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 108.275 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -143.66 -67.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -148.91 175.29 11.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -42.03 136.83 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 36' ' ' MET . 19.8 tt0 -107.3 99.86 9.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.572 ' HG2' HG23 ' A' ' 35' ' ' VAL . 1.7 mt-10 -78.34 136.61 37.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.9 166.93 31.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.421 ' O ' ' HA ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -109.22 137.61 46.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.694 ' C ' HD23 ' A' ' 50' ' ' LEU . 1.7 m-30 -122.03 118.93 29.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.881 HD11 HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -109.26 110.07 21.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.665 HD21 HD12 ' A' ' 124' ' ' LEU . 9.9 tp -86.83 114.44 23.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.924 ' CE1' HG22 ' A' ' 28' ' ' VAL . 7.9 m-30 -100.73 9.34 42.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.842 ' HA ' HD13 ' A' ' 124' ' ' LEU . 4.2 t 65.71 42.61 3.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.418 ' N ' HG13 ' A' ' 76' ' ' ILE . 0.3 OUTLIER 175.81 -30.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.482 ' CG2' ' HD3' ' A' ' 73' ' ' LYS . 9.6 p -146.08 149.0 16.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.774 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.5 tm? -105.15 92.66 4.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.616 HG13 ' CE2' ' A' ' 52' ' ' PHE . 12.0 mm -76.61 128.66 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.762 ' O ' HD12 ' A' ' 59' ' ' LEU . 11.6 mtm -108.47 132.55 53.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.982 HD21 ' CD1' ' A' ' 14' ' ' ILE . 8.2 mp -126.59 158.75 35.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.0 m -142.8 148.44 37.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.09 87.06 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.475 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -79.67 -53.56 1.0 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.984 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 62' ' ' SER . 18.3 Cg_endo -74.97 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.41 175.78 1.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.1 ttp -60.57 161.41 7.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.9 t 76.66 103.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.958 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.51 137.44 7.55 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.504 1.128 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.473 ' CB ' HD23 ' A' ' 59' ' ' LEU . 13.9 m-85 -127.75 169.92 13.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 16.5 ttt -132.18 119.02 20.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.498 ' OH ' ' CG ' ' A' ' 73' ' ' LYS . 72.2 t80 -62.98 141.64 58.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -137.54 66.31 1.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.345 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.81 171.38 19.47 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.498 ' CG ' ' OH ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -143.22 164.62 29.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.761 . . . . 0.0 109.325 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.785 ' HB ' ' HE1' ' A' ' 79' ' ' MET . 7.7 mt -135.14 130.04 19.16 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.98 136.09 19.97 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.545 HD11 HD11 ' A' ' 51' ' ' LEU . 15.9 mm -61.09 -21.6 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.57 -81.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.2 -20.34 4.72 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.785 ' HE1' ' HB ' ' A' ' 74' ' ' ILE . 5.2 tpp -46.63 153.94 0.34 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 0.753 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.2 t -142.8 105.04 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.422 HG21 HD22 ' A' ' 121' ' ' LEU . 4.2 t -111.08 140.78 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -178.08 129.93 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 85' ' ' ASP . 0.2 OUTLIER -42.13 118.3 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.636 HD21 ' HG2' ' A' ' 95' ' ' GLU . 13.1 mt -69.44 62.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 83' ' ' ARG . 4.3 t0 -93.44 11.74 27.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.725 ' C ' HD13 ' A' ' 87' ' ' ILE . 1.7 mt-10 -67.74 -8.69 37.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.775 ' N ' HD13 ' A' ' 87' ' ' ILE . 0.9 OUTLIER -95.77 -145.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.567 ' H ' HG22 ' A' ' 87' ' ' ILE . 4.2 pt-20 -170.7 125.61 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 44.88 75.89 0.15 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 t -158.47 -61.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 0.795 . . . . 0.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 92' ' ' CYS . 5.0 t0 174.58 157.82 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.246 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.443 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 58.5 m -71.86 -81.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 108.312 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.81 175.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.41 ' CD1' ' HE1' ' A' ' 114' ' ' PHE . 4.1 p90 -152.35 155.22 37.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.636 ' HG2' HD21 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -112.22 156.4 22.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.51 HG23 ' SD ' ' A' ' 79' ' ' MET . 21.1 mt -127.93 91.34 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.676 HG22 ' HA ' ' A' ' 103' ' ' ARG . 32.2 p -111.22 -176.02 2.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 99' ' ' SER . . . 131.94 -47.06 1.03 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.434 1.084 . . . . 0.0 111.032 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 98' ' ' GLY . 1.1 t -39.31 -63.41 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.751 . . . . 0.0 109.983 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 52.5 m -152.75 -71.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 102' ' ' GLU . 43.4 t -141.72 -45.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 101' ' ' VAL . 2.1 tt0 -37.46 136.3 0.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.676 ' HA ' HG22 ' A' ' 97' ' ' THR . 19.4 ttm105 -112.89 121.11 43.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.505 ' CD1' HD11 ' A' ' 74' ' ' ILE . 4.8 mt -85.01 106.12 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.406 1.066 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 41.9 t -96.58 98.26 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.565 HG13 ' HB ' ' A' ' 34' ' ' VAL . 8.0 t -83.6 117.66 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.449 ' O ' ' CB ' ' A' ' 108' ' ' CYS . 3.6 m80 -70.1 141.07 52.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.612 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.449 ' CB ' ' O ' ' A' ' 107' ' ' HIS . 0.6 OUTLIER 163.55 101.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.138 . . . . 0.0 108.26 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -50.22 -54.4 21.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.416 ' O ' ' O ' ' A' ' 111' ' ' ASN . 58.0 t30 -163.06 -66.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.416 ' O ' ' O ' ' A' ' 110' ' ' ASN . 4.3 m120 49.08 -177.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -97.84 -45.23 6.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 4.0 m-20 -45.73 -64.38 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.478 ' CE1' ' HG3' ' A' ' 118' ' ' MET . 14.0 t80 -41.49 -52.86 3.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -37.86 -41.68 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.334 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -67.74 -48.19 67.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.754 ' O ' HD12 ' A' ' 121' ' ' LEU . 51.1 m95 -45.82 -48.14 15.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 108.025 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.478 ' HG3' ' CE1' ' A' ' 114' ' ' PHE . 2.5 mtp -67.18 -29.0 68.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 116' ' ' GLU . 2.4 tt0 -70.59 -51.69 26.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.512 ' O ' ' CG ' ' A' ' 123' ' ' ARG . 10.7 pt20 -68.79 -55.53 10.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.754 HD12 ' O ' ' A' ' 117' ' ' TRP . 4.9 mt -48.91 -24.83 1.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.3 OUTLIER -67.0 -26.54 66.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.703 ' HG3' HD23 ' A' ' 124' ' ' LEU . 15.2 ptt180 -105.29 -27.85 11.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.842 HD13 ' HA ' ' A' ' 53' ' ' SER . 10.3 mt -70.32 -65.93 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 29.0 p -61.08 -57.04 14.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.443 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.8 65.72 8.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.86 -63.97 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -51.23 -178.7 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -44.92 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 18.6 t -146.3 -57.11 0.29 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.013 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 52.6 p -100.46 167.3 10.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.524 1.14 . . . . 0.0 111.022 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 m -136.2 -58.72 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 0.753 . . . . 0.0 109.981 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.0 t -53.74 -60.48 3.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.7 -149.8 5.14 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.46 1.1 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -160.11 81.44 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 0.737 . . . . 0.0 110.027 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.35 126.46 54.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.35 -110.22 3.73 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.11 137.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 110.324 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.884 HG22 ' HG ' ' A' ' 10' ' ' LEU . 28.5 mm -71.02 -100.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.884 ' HG ' HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -138.61 -61.53 0.58 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.416 ' N ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -168.74 -73.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -42.89 157.26 0.24 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.259 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 156.44 42.83 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.45 1.763 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.764 ' CD1' HD21 ' A' ' 59' ' ' LEU . 6.9 mt -70.18 130.95 34.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.537 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 1.5 tt0 -72.27 148.2 45.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 73.44 5.09 4.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.663 ' CH2' HD12 ' A' ' 22' ' ' ILE . 63.1 t-105 -72.46 127.23 31.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 107.983 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -131.16 176.09 8.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.11 -126.72 7.83 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.523 1.14 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -107.48 -177.04 3.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 0.754 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -59.86 160.45 7.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.663 HD12 ' CH2' ' A' ' 17' ' ' TRP . 6.6 tt -82.01 -27.32 9.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -60.94 -15.18 28.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.4 p -74.48 -30.65 61.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.452 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.591 HD13 HG11 ' A' ' 55' ' ' VAL . 74.1 mt -75.62 -56.03 5.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 155.43 -128.84 2.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.562 1.164 . . . . 0.0 110.975 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.494 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 43.9 p-10 -123.44 -161.79 1.0 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 0.751 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.831 HG22 ' HE1' ' A' ' 52' ' ' PHE . 92.5 t -117.23 104.3 16.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.567 HD11 ' CB ' ' A' ' 53' ' ' SER . 30.8 mt -59.94 -75.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.521 ' N ' HG22 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -124.74 120.55 32.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.962 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.55 ' HG3' HD22 ' A' ' 50' ' ' LEU . 21.6 ttm -121.5 127.45 51.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.89 168.77 25.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -86.57 105.51 16.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.494 ' HB ' HG13 ' A' ' 106' ' ' VAL . 3.9 m -105.02 179.2 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.54 HG22 ' HA ' ' A' ' 46' ' ' GLU . 2.1 t -137.5 117.31 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.503 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.6 tmm? -137.94 121.9 17.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.432 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 1.5 tp60 -126.11 145.93 50.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.5 -64.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.6 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.75 -129.18 1.11 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.46 1.1 . . . . 0.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.62 94.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 72.3 m -133.79 172.78 12.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 108.307 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.433 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 10.9 mt-10 -39.67 -73.73 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.113 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.433 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 3.8 mm-40 -134.9 -168.39 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 pttp -67.89 157.62 34.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 36' ' ' MET . 4.9 tp10 -114.48 109.17 17.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.54 ' HA ' HG22 ' A' ' 35' ' ' VAL . 0.9 OUTLIER -89.42 132.66 34.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.259 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -152.67 170.38 20.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.62 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -109.87 134.18 52.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.715 ' C ' HD23 ' A' ' 50' ' ' LEU . 1.9 m-30 -118.92 121.76 40.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.715 HD23 ' C ' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -110.06 109.35 19.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.623 HD23 ' NE2' ' A' ' 120' ' ' GLN . 8.7 tp -86.87 112.51 21.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.831 ' HE1' HG22 ' A' ' 28' ' ' VAL . 8.0 m-30 -96.44 -5.34 39.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.918 ' HA ' HD13 ' A' ' 124' ' ' LEU . 0.4 OUTLIER 84.06 -13.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.18 -2.92 6.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.958 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.591 HG11 HD13 ' A' ' 25' ' ' LEU . 7.5 p -176.23 150.15 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.857 HD13 ' O ' ' A' ' 56' ' ' LEU . 1.6 tm? -104.81 94.33 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.608 HG13 ' CE2' ' A' ' 52' ' ' PHE . 7.6 mm -77.4 138.08 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.678 ' O ' HD12 ' A' ' 59' ' ' LEU . 27.7 mtm -120.57 133.57 55.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.847 HD23 ' CB ' ' A' ' 68' ' ' PHE . 6.9 mp -122.24 155.89 34.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.3 p -148.73 127.72 12.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.97 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.77 95.99 8.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.47 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -78.93 -54.49 1.04 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.005 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.2 Cg_endo -75.0 -20.27 17.02 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.22 89.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.464 ' CE ' ' HA ' ' A' ' 65' ' ' MET . 2.6 tpt -178.98 167.76 1.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.6 m -39.74 119.15 0.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.004 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.414 ' N ' HD21 ' A' ' 10' ' ' LEU . . . 112.51 170.66 18.19 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.847 ' CB ' HD23 ' A' ' 59' ' ' LEU . 5.9 m-85 -134.23 173.81 11.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 0.79 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 23.6 ttt -129.85 108.76 10.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.46 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 33.2 t80 -57.8 144.31 38.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -154.36 103.39 2.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.269 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.84 156.84 0.02 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -144.34 134.38 24.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.783 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.711 HD11 HD13 ' A' ' 104' ' ' ILE . 2.0 mt -106.64 114.21 62.14 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 133.27 16.31 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.466 1.772 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.429 HG12 ' N ' ' A' ' 55' ' ' VAL . 42.2 mm -47.46 -34.38 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.81 132.46 46.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.65 -3.75 40.59 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.406 ' CE ' ' HB ' ' A' ' 74' ' ' ILE . 19.9 ttm -63.75 140.67 58.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 0.783 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.5 t -120.7 107.93 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.234 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.65 HG21 HD22 ' A' ' 121' ' ' LEU . 3.2 t -130.32 152.65 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.5 p30 175.04 175.73 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.462 ' CD ' ' O ' ' A' ' 89' ' ' GLY . 0.1 OUTLIER -78.14 -0.03 26.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.716 HD21 ' HG2' ' A' ' 95' ' ' GLU . 83.7 mt 68.95 8.21 6.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -111.25 -22.12 11.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 75.32 -2.48 2.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.564 HG22 ' H ' ' A' ' 88' ' ' GLU . 7.5 mm -81.86 -132.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.564 ' H ' HG22 ' A' ' 87' ' ' ILE . 10.7 mt-10 -150.51 31.68 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.462 ' O ' ' CD ' ' A' ' 83' ' ' ARG . . . 176.49 -118.14 0.63 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.105 . . . . 0.0 110.99 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 42.56 59.73 2.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 0.742 . . . . 0.0 109.979 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -40.26 147.58 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 26.5 t -178.7 -71.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.351 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -173.59 176.93 2.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.544 ' CE1' ' HB ' ' A' ' 106' ' ' VAL . 6.2 p90 -146.92 158.38 43.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.716 ' HG2' HD21 ' A' ' 84' ' ' LEU . 19.1 pt-20 -118.51 167.39 11.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.302 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.8 mt -135.32 98.78 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.62 HG22 ' HA ' ' A' ' 103' ' ' ARG . 39.3 p -125.43 -175.51 3.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.402 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 124.05 135.34 4.46 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.8 t 70.49 -68.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 110.03 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.8 p -64.37 -142.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.2 p -144.55 -46.36 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.37 134.78 53.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.62 ' HA ' HG22 ' A' ' 97' ' ' THR . 38.0 ttp180 -95.05 127.44 41.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.711 HD13 HD11 ' A' ' 74' ' ' ILE . 1.5 mt -91.42 106.77 17.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 25.2 t -95.83 97.55 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.544 ' HB ' ' CE1' ' A' ' 94' ' ' PHE . 11.2 t -82.71 120.12 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -71.41 163.05 28.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.576 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.566 ' CB ' ' CD1' ' A' ' 114' ' ' PHE . 13.9 p -153.71 160.76 42.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 108.31 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -121.03 16.16 11.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.5 m120 61.8 90.1 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -157.61 175.8 13.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -33.0 68.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.32 -51.38 67.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.566 ' CD1' ' CB ' ' A' ' 108' ' ' CYS . 55.2 t80 -51.37 -55.51 18.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.585 1.178 . . . . 0.0 111.045 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.06 -51.19 64.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.343 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.92 -61.41 1.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.13 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.647 ' O ' HD12 ' A' ' 121' ' ' LEU . 47.5 m95 -42.78 -52.82 4.86 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.455 ' HE3' ' HE ' ' A' ' 83' ' ' ARG . 93.5 mmm -61.56 -42.43 98.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -61.95 1.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.623 ' NE2' HD23 ' A' ' 51' ' ' LEU . 10.7 pt20 -60.15 -55.55 32.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.65 HD22 HG21 ' A' ' 81' ' ' VAL . 6.5 mt -45.26 -30.21 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.16 -40.59 78.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.623 ' CG ' HD23 ' A' ' 124' ' ' LEU . 1.5 ptm180 -83.48 -30.42 27.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.918 HD13 ' HA ' ' A' ' 53' ' ' SER . 9.0 mt -67.4 -72.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 47.9 p -57.15 -61.42 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.373 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -93.01 -162.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.68 141.55 1.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -114.27 -159.93 13.12 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 147.77 34.31 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.53 1.805 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 52.4 p -88.21 147.76 24.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.963 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 80.3 p -57.55 140.07 51.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 t -178.53 102.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.009 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 m 61.32 156.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.009 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.79 -96.82 0.41 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.11 89.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.405 ' O ' HD11 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -137.56 137.33 38.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.0 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.11 -130.93 4.5 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.137 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 11' ' ' SER . 38.3 mm-40 -131.49 -56.71 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.493 HD12 ' CD2' ' A' ' 68' ' ' PHE . 3.3 tt -45.59 -27.11 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.406 ' N ' ' C ' ' A' ' 8' ' ' GLN . 0.5 OUTLIER -120.96 42.87 2.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 8' ' ' GLN . 2.5 m -163.63 -57.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.996 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -96.83 160.3 29.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 160.0 40.55 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.569 HD13 HD21 ' A' ' 59' ' ' LEU . 16.1 mt -83.86 139.84 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -77.32 138.25 39.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 63.29 42.49 6.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.582 ' CZ2' HD12 ' A' ' 22' ' ' ILE . 73.8 t-105 -101.76 105.69 16.6 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -111.78 155.78 23.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 110.319 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.52 -84.69 0.25 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.533 1.146 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.35 -64.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.747 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.558 ' CB ' HG23 ' A' ' 24' ' ' THR . 0.7 OUTLIER -154.39 151.82 29.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.582 HD12 ' CZ2' ' A' ' 17' ' ' TRP . 7.7 tt -84.65 -25.6 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.74 -15.0 63.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.558 HG23 ' CB ' ' A' ' 21' ' ' ASP . 41.0 p -69.84 -33.45 72.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.487 HD13 HG11 ' A' ' 55' ' ' VAL . 68.2 mt -73.64 -74.98 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 174.48 -133.88 2.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -117.37 179.09 4.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.802 HG22 ' HE1' ' A' ' 52' ' ' PHE . 80.2 t -101.85 101.54 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.565 HD11 ' HB2' ' A' ' 53' ' ' SER . 42.3 mt -59.67 -78.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.498 ' N ' HG22 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -120.08 119.91 34.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.658 ' HE3' HG11 ' A' ' 28' ' ' VAL . 32.7 ttm -121.6 114.97 21.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.12 166.77 25.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -88.66 106.92 18.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.468 ' HB ' HG13 ' A' ' 106' ' ' VAL . 16.3 m -105.32 176.37 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.772 HG22 ' HG3' ' A' ' 46' ' ' GLU . 2.5 t -124.78 117.48 50.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.852 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.1 tmm? -139.4 120.83 15.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -122.94 171.76 8.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.39 179.02 4.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.583 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.8 91.85 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 111.04 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 62.76 145.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.324 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.6 t -173.3 -59.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 108.305 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -174.32 -82.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 110.245 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -139.98 -178.87 5.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -39.44 136.73 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 36' ' ' MET . 24.6 tt0 -112.68 92.59 4.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.772 ' HG3' HG22 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -70.39 147.55 49.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.86 177.91 8.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -119.8 131.24 55.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.962 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.676 ' HE2' HD12 ' A' ' 96' ' ' ILE . 1.9 m-30 -119.26 114.15 21.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.574 HD23 ' C ' ' A' ' 49' ' ' PHE . 0.8 OUTLIER -102.45 112.48 25.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.622 HD22 ' CZ3' ' A' ' 117' ' ' TRP . 6.6 tp -84.97 113.75 21.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.802 ' HE1' HG22 ' A' ' 28' ' ' VAL . 6.4 m-30 -101.74 6.29 41.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.845 ' HA ' HD13 ' A' ' 124' ' ' LEU . 8.4 t 65.61 50.56 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.024 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.6 OUTLIER 161.37 -22.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.541 HG21 ' HD3' ' A' ' 73' ' ' LYS . 2.8 p -151.71 140.05 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.763 HD12 HD12 ' A' ' 74' ' ' ILE . 2.3 tm? -101.84 95.01 6.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.607 HG13 ' CE2' ' A' ' 52' ' ' PHE . 14.1 mm -75.9 126.27 36.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.709 ' O ' HD12 ' A' ' 59' ' ' LEU . 39.5 mtm -109.48 137.04 47.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.709 HD12 ' O ' ' A' ' 58' ' ' MET . 4.3 mp -127.39 161.87 27.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.6 p -135.41 132.88 38.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.28 157.51 33.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.492 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.1 OUTLIER 176.21 -55.82 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.968 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.492 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.3 Cg_endo -75.02 118.84 5.41 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.454 1.766 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -78.98 84.68 4.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.7 ttp -176.83 -57.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.9 t -87.88 161.92 17.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.78 -110.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.493 ' CD2' HD12 ' A' ' 9' ' ' ILE . 14.1 m-85 -124.25 157.85 33.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 111.046 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.413 ' O ' ' HA ' ' A' ' 59' ' ' LEU . 5.5 ttt -114.93 130.66 56.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -90.28 128.79 36.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -104.24 -61.16 1.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -155.6 170.1 33.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.541 ' HD3' HG21 ' A' ' 55' ' ' VAL . 1.1 ptpt -137.33 133.99 35.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.754 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.763 HD12 HD12 ' A' ' 56' ' ' LEU . 4.0 mt -104.61 120.96 48.66 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 124.9 9.0 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.455 1.766 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.69 HD13 ' SD ' ' A' ' 79' ' ' MET . 21.3 mm -42.75 -35.94 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.86 121.73 9.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.1 -17.48 17.36 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.69 ' SD ' HD13 ' A' ' 76' ' ' ILE . 33.1 ttm -56.79 120.56 8.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.773 . . . . 0.0 110.949 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.6 t -105.1 106.89 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 1.066 HG21 HD22 ' A' ' 121' ' ' LEU . 7.2 t -111.67 150.03 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 30.0 p30 171.62 170.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 84' ' ' LEU . 11.5 ptt-85 -89.39 37.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 83' ' ' ARG . 1.0 OUTLIER 38.92 81.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -96.24 10.27 38.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.742 ' C ' HD13 ' A' ' 87' ' ' ILE . 3.3 mt-10 -93.25 -3.05 54.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.351 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.742 HD13 ' C ' ' A' ' 86' ' ' GLU . 1.3 mm -104.17 -145.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.544 ' H ' HG22 ' A' ' 87' ' ' ILE . 2.4 pt-20 -139.28 48.19 1.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.26 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.09 -101.65 0.2 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.405 ' HA ' ' SD ' ' A' ' 93' ' ' MET . 0.5 OUTLIER 38.97 80.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 110.009 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.77 153.6 20.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 8.6 m 43.77 63.58 1.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 108.334 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.405 ' SD ' ' HA ' ' A' ' 90' ' ' SER . 21.9 ptm -179.79 149.85 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -150.73 159.37 44.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.499 ' HG3' HG23 ' A' ' 97' ' ' THR . 6.3 pt-20 -104.19 155.31 18.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.676 HD12 ' HE2' ' A' ' 49' ' ' PHE . 45.1 mt -128.29 93.62 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.765 HG22 ' HA ' ' A' ' 103' ' ' ARG . 9.8 p -109.25 -174.92 2.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.411 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 125.14 84.97 0.59 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.66 -66.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 0.791 . . . . 0.0 109.96 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.494 ' C ' HG23 ' A' ' 101' ' ' VAL . 2.7 m -159.83 -63.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.392 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.57 ' O ' HG12 ' A' ' 101' ' ' VAL . 97.1 t -156.64 57.7 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.429 ' O ' ' HB ' ' A' ' 97' ' ' THR . 8.1 tt0 -129.77 142.34 50.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.765 ' HA ' HG22 ' A' ' 97' ' ' THR . 54.3 ttp180 -135.06 117.85 16.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.852 HG23 ' HG3' ' A' ' 36' ' ' MET . 10.6 mt -95.45 104.54 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 36.9 t -82.89 97.86 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.486 HG23 HG22 ' A' ' 104' ' ' ILE . 40.1 t -88.06 114.34 26.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -81.5 127.47 32.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.566 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 92.7 m -115.98 164.53 14.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 0.0 108.352 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -138.08 -49.04 0.55 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.53 161.43 27.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -102.95 -55.55 2.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -54.01 -56.63 16.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.11 -57.17 13.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -47.24 -52.87 14.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -47.04 -56.73 5.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -45.71 -59.82 2.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.622 ' CZ3' HD22 ' A' ' 51' ' ' LEU . 46.9 m95 -43.12 -54.76 4.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.027 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 94.6 mmm -57.18 -42.33 80.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -56.95 -69.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.572 ' OE1' HD23 ' A' ' 51' ' ' LEU . 1.8 pt20 -51.35 -56.55 12.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 1.066 HD22 HG21 ' A' ' 81' ' ' VAL . 5.9 mt -42.87 -53.7 4.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -45.68 -42.2 11.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.505 ' HG2' HD23 ' A' ' 124' ' ' LEU . 6.6 ttm180 -73.45 -59.06 2.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.845 HD13 ' HA ' ' A' ' 53' ' ' SER . 8.2 mt -46.86 -77.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.434 HG21 ' HB ' ' A' ' 81' ' ' VAL . 82.1 p -42.45 -69.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.387 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -66.49 -154.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 87.4 p -51.98 124.25 12.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.034 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -104.45 -139.86 10.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 138.12 22.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.799 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 14.8 m 69.46 125.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.026 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 88.2 p -113.36 94.41 4.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 0.0 109.98 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 t -156.29 136.66 13.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 110.029 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.85 161.8 1.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.056 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.0 149.26 25.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 0.0 111.033 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.0 p -84.06 75.79 10.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 109.958 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 176.54 169.44 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.004 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.1 -86.37 0.15 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -42.09 163.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.766 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.841 HG22 ' HG ' ' A' ' 10' ' ' LEU . 36.3 mm -46.13 -93.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.841 ' HG ' HG22 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -132.24 -57.46 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 m -139.56 -68.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -61.62 147.74 88.01 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.7 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.501 1.79 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.79 ' CD1' HD21 ' A' ' 59' ' ' LEU . 3.2 mt -107.11 148.51 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.716 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 7.9 tt0 -98.94 140.11 33.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 87.42 -16.99 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.477 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 27.6 t-105 -53.62 109.05 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 108.006 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -132.98 161.74 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.71 -135.02 21.32 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.82 151.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -87.47 166.92 14.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.477 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 7.0 tt -86.95 -35.77 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -51.15 -24.24 3.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.4 p -62.48 -35.21 78.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.381 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.71 -75.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.521 ' O ' ' CB ' ' A' ' 27' ' ' ASN . . . 64.38 154.08 0.11 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.509 1.131 . . . . 0.0 111.052 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.521 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 1.2 t30 83.91 129.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 0.749 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.788 HG22 ' CE1' ' A' ' 52' ' ' PHE . 53.5 t -130.14 93.08 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.748 HD11 ' HB2' ' A' ' 53' ' ' SER . 53.7 mt -42.54 -81.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.518 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.3 OUTLIER -122.65 129.45 51.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.79 ' HE3' HD22 ' A' ' 50' ' ' LEU . 32.5 ttm -132.13 115.68 16.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.5 t -149.01 171.54 16.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -88.5 105.47 17.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.344 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.405 ' HB ' HG13 ' A' ' 106' ' ' VAL . 25.9 m -105.79 166.1 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.479 HG23 ' HG2' ' A' ' 46' ' ' GLU . 1.4 t -114.43 110.08 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.787 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.2 tmm? -134.1 121.2 21.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -127.75 -178.33 4.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -88.43 -49.79 6.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.618 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 179.51 -116.04 0.5 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.13 . . . . 0.0 110.96 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.98 93.5 3.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.755 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.42 176.51 8.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 108.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -38.38 -85.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 44' ' ' LYS . 14.0 mt-10 -138.22 176.03 9.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.411 ' HD2' HG21 ' A' ' 35' ' ' VAL . 13.7 pttt -39.2 138.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 36' ' ' MET . 5.3 tp10 -101.92 96.12 6.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.479 ' HG2' HG23 ' A' ' 35' ' ' VAL . 1.6 mt-10 -79.11 134.28 36.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -148.94 170.52 18.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.486 ' CE2' ' CZ ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -114.21 119.84 38.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.766 ' C ' HD23 ' A' ' 50' ' ' LEU . 2.3 m-30 -106.74 122.51 46.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.822 HD11 HD22 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -110.17 109.96 20.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.57 HD22 ' CZ3' ' A' ' 117' ' ' TRP . 5.7 tp -86.13 108.11 18.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.788 ' CE1' HG22 ' A' ' 28' ' ' VAL . 8.6 m-30 -92.37 4.55 53.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.748 ' HB2' HD11 ' A' ' 29' ' ' ILE . 8.0 t 72.61 44.9 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.995 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 167.89 -26.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.985 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.423 HG21 ' HD3' ' A' ' 73' ' ' LYS . 9.2 p -143.81 145.87 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.683 HD13 ' O ' ' A' ' 56' ' ' LEU . 3.1 tm? -104.86 90.34 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.623 HG13 ' CE2' ' A' ' 52' ' ' PHE . 23.3 mm -76.7 126.48 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.735 ' O ' HD12 ' A' ' 59' ' ' LEU . 15.1 mtm -108.74 131.7 54.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.822 HD22 HD11 ' A' ' 50' ' ' LEU . 6.6 mp -124.98 158.41 33.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 p -149.2 129.31 13.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -98.91 97.6 8.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.471 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -73.02 -54.58 4.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.969 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.2 Cg_endo -74.95 127.47 10.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.1 83.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.251 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 30.4 ttp -169.68 -73.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 54.6 p -167.95 -176.36 3.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.98 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.48 156.55 13.48 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.566 ' CB ' HD23 ' A' ' 59' ' ' LEU . 34.0 m-85 -130.1 154.57 47.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -123.16 121.1 35.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.956 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -71.01 142.7 50.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -153.3 98.61 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.347 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.03 162.07 0.49 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.423 ' HD3' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -149.11 133.37 17.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 0.785 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.596 HD11 HD12 ' A' ' 104' ' ' ILE . 0.9 OUTLIER -108.59 114.01 59.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.471 ' O ' ' N ' ' A' ' 79' ' ' MET . 18.4 Cg_endo -75.01 135.16 18.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.452 HD13 ' SD ' ' A' ' 79' ' ' MET . 15.8 mm -50.62 -44.31 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.19 -52.52 64.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -82.26 4.41 77.01 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.461 1.1 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.507 ' HE1' ' HB ' ' A' ' 74' ' ' ILE . 17.5 ttm -85.16 160.3 19.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 32.3 t -142.71 107.04 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.596 HG21 HD22 ' A' ' 121' ' ' LEU . 6.0 t -117.88 130.57 72.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 -164.67 46.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.17 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 40.13 54.02 2.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.928 HD13 ' OE1' ' A' ' 95' ' ' GLU . 0.2 OUTLIER 77.6 -60.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.459 ' HB2' ' CD1' ' A' ' 87' ' ' ILE . 4.9 p-10 -165.55 106.47 0.75 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.5 ' O ' ' O ' ' A' ' 87' ' ' ILE . 14.4 mt-10 -37.74 -73.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.611 ' N ' ' CD1' ' A' ' 87' ' ' ILE . 0.6 OUTLIER 56.84 150.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -72.98 58.06 0.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.142 . . . . 0.0 110.256 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 128.33 97.18 0.89 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.69 132.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 0.0 110.029 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -157.17 113.0 2.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.2 t -179.75 117.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 108.328 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.7 mtp 50.66 -173.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -153.64 159.45 42.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.928 ' OE1' HD13 ' A' ' 84' ' ' LEU . 7.4 pt-20 -122.69 157.0 33.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.403 HD12 ' HE2' ' A' ' 49' ' ' PHE . 76.5 mt -123.48 98.11 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.813 HG22 ' HA ' ' A' ' 103' ' ' ARG . 47.8 p -111.87 -175.76 2.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 109.62 91.81 2.16 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.55 1.156 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 25.2 t -176.56 -59.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 110.023 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.68 -51.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.42 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.625 HG22 ' O ' ' A' ' 101' ' ' VAL . 2.7 p -176.09 55.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -136.47 142.4 43.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.813 ' HA ' HG22 ' A' ' 97' ' ' THR . 19.8 ttp-105 -129.29 119.38 23.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.787 HG23 ' HG3' ' A' ' 36' ' ' MET . 3.2 mt -92.52 110.98 23.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.1 t -93.82 98.15 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.405 HG13 ' HB ' ' A' ' 34' ' ' VAL . 17.7 t -82.39 123.69 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -86.36 165.16 16.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.588 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.58 174.29 7.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 108.294 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -121.55 15.73 11.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 62.04 117.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 178.91 -179.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -31.58 39.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.256 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.416 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 1.2 m-20 -62.11 -59.6 4.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -48.79 -64.5 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -41.2 -41.8 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.425 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -60.9 -59.0 6.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.291 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.779 ' O ' HD12 ' A' ' 121' ' ' LEU . 46.8 m95 -49.8 -44.49 49.1 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -38.24 90.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.09 -69.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.48 ' NE2' HD23 ' A' ' 51' ' ' LEU . 6.7 pt20 -45.38 -57.12 4.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.779 HD12 ' O ' ' A' ' 117' ' ' TRP . 10.7 mt -47.14 -48.43 23.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.64 -29.13 58.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 120' ' ' GLN . 21.6 ttt180 -86.4 -59.16 2.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.608 HD13 ' HA ' ' A' ' 53' ' ' SER . 13.6 mt -45.17 -71.46 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.473 HG21 ' HB ' ' A' ' 81' ' ' VAL . 49.2 p -52.94 -55.6 22.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.415 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -103.21 101.7 11.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.365 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 26.4 t -91.72 84.44 5.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.024 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 52.98 -157.98 4.14 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.143 . . . . 0.0 111.032 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.5 11.15 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.48 1.779 . . . . 0.0 111.025 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 95.0 p -103.01 110.36 22.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.984 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 87.4 p -170.01 166.75 9.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.0 m -144.41 108.07 4.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 0.738 . . . . 0.0 110.022 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -91.46 103.27 15.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.968 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.65 100.73 1.34 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.72 163.88 4.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.783 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 65.74 165.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.967 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.81 -98.2 0.2 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.4 mp0 -78.38 144.16 36.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 0.796 . . . . 0.0 110.314 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.635 HD11 ' HE2' ' A' ' 31' ' ' MET . 2.4 tt -43.1 -35.36 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.745 HD12 ' N ' ' A' ' 11' ' ' SER . 1.3 pp -146.54 -56.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.745 ' N ' HD12 ' A' ' 10' ' ' LEU . 1.8 m -148.89 -59.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -94.85 162.28 25.77 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -173.45 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.472 1.775 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.83 ' CD1' HD21 ' A' ' 59' ' ' LEU . 3.7 mt -83.31 154.7 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.552 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 5.1 tt0 -105.05 126.82 52.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 74.59 20.36 2.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.568 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 39.4 t-105 -44.27 -76.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 73.27 103.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.29 -147.44 12.78 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.133 . . . . 0.0 111.062 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.4 -57.41 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.862 ' O ' HG22 ' A' ' 24' ' ' THR . 0.9 OUTLIER -159.68 142.1 13.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.568 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 10.5 tt -82.45 -27.69 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.72 -2.95 52.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.862 HG22 ' O ' ' A' ' 21' ' ' ASP . 1.9 t -92.21 -26.65 18.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.4 mt -68.27 -79.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -175.61 139.9 4.92 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.562 1.164 . . . . 0.0 111.043 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -44.94 156.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 109.312 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.792 HG22 ' CE1' ' A' ' 52' ' ' PHE . 92.3 t -83.72 100.93 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.583 HD11 ' HB3' ' A' ' 53' ' ' SER . 34.7 mt -55.97 -75.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.59 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.3 OUTLIER -122.93 121.51 36.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.974 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.635 ' HE2' HD11 ' A' ' 9' ' ' ILE . 32.5 ttm -124.15 121.31 34.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.24 163.08 33.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -80.69 109.83 15.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.4 m -105.23 175.47 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.535 HG22 ' HG3' ' A' ' 46' ' ' GLU . 1.8 t -124.6 107.91 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.845 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.3 tmm? -132.07 121.87 24.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.044 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.48 ' CB ' ' HB3' ' A' ' 45' ' ' GLU . 3.4 tm0? -131.96 173.78 10.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.0 -50.22 67.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.556 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -147.14 -81.26 0.04 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.469 1.105 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -141.74 -48.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.588 0.817 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 46.27 -166.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 108.291 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.497 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 1.8 mt-10 -49.18 -53.71 19.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.497 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 3.6 mm-40 -142.7 -169.65 3.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -77.33 168.82 19.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 36' ' ' MET . 5.4 tp10 -120.33 102.16 8.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.535 ' HG3' HG22 ' A' ' 35' ' ' VAL . 19.4 mt-10 -79.84 145.61 32.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.442 ' NH2' ' OE1' ' A' ' 71' ' ' GLN . 0.2 OUTLIER -162.71 177.76 9.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -117.16 130.46 56.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.672 ' C ' HD23 ' A' ' 50' ' ' LEU . 1.8 m-30 -119.42 118.76 31.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.695 HD11 HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -109.13 111.85 23.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.621 HD23 ' OE1' ' A' ' 120' ' ' GLN . 4.9 tp -88.01 118.03 27.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.792 ' CE1' HG22 ' A' ' 28' ' ' VAL . 7.4 m-30 -101.72 4.32 40.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.851 ' HA ' HD13 ' A' ' 124' ' ' LEU . 1.5 p 73.17 44.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.3 OUTLIER 166.41 -26.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.97 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.443 HG21 ' HE3' ' A' ' 73' ' ' LYS . 3.1 p -143.87 143.72 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.793 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.2 tm? -104.88 94.36 5.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.577 1.173 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.599 HG13 ' CE2' ' A' ' 52' ' ' PHE . 9.9 mm -76.31 131.28 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.362 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.578 ' O ' HD12 ' A' ' 59' ' ' LEU . 41.1 mtm -118.82 130.95 56.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.83 HD21 ' CD1' ' A' ' 14' ' ' ILE . 1.7 mp -119.9 157.71 28.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.9 t -119.02 148.96 42.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.49 131.12 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.04 172.12 7.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.993 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 64.01 6.01 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.428 1.752 . . . . 0.0 111.031 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.82 172.01 18.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.302 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.521 ' O ' ' CB ' ' A' ' 66' ' ' SER . 4.0 ttp -74.48 111.01 9.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 65' ' ' MET . 2.6 t 157.82 132.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.005 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.96 -122.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.695 ' HD2' HD23 ' A' ' 59' ' ' LEU . 14.5 m-30 -107.67 148.27 29.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 15.6 ttt -121.77 121.38 37.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 111.003 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' GLN . 24.1 t80 -73.2 119.45 17.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.442 ' OE1' ' NH2' ' A' ' 47' ' ' ARG . 7.6 mm-40 -94.22 -62.16 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.42 ' O ' ' CE ' ' A' ' 58' ' ' MET . . . -155.13 167.71 32.88 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.443 ' HE3' HG21 ' A' ' 55' ' ' VAL . 1.3 pttt -132.13 132.4 43.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.563 HG22 ' HE3' ' A' ' 79' ' ' MET . 8.8 mt -106.12 116.22 59.85 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 125.32 9.22 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.553 1.817 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.804 HD13 ' SD ' ' A' ' 79' ' ' MET . 10.9 mm -51.32 -24.8 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.94 -64.63 0.87 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.453 ' O ' ' CA ' ' A' ' 98' ' ' GLY . . . -84.15 12.09 55.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.804 ' SD ' HD13 ' A' ' 76' ' ' ILE . 42.6 ttm -86.04 147.71 26.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 0.743 . . . . 0.0 110.959 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.5 t -137.88 107.84 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.449 HG22 HG12 ' A' ' 96' ' ' ILE . 5.4 t -117.88 151.77 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 22.6 p30 176.54 162.86 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.272 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' LEU . 1.1 ttt180 -73.62 57.8 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 84' ' ' LEU . 4.5 mm? 40.25 80.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -82.86 2.8 32.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.947 ' C ' HD13 ' A' ' 87' ' ' ILE . 1.7 mt-10 -81.58 -6.75 59.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.947 HD13 ' C ' ' A' ' 86' ' ' GLU . 0.9 OUTLIER -109.11 -146.93 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.533 ' H ' HG22 ' A' ' 87' ' ' ILE . 43.8 mt-10 -132.03 68.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.81 115.34 0.12 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 t -168.11 120.55 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.767 . . . . 0.0 110.03 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.16 109.67 15.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.16 -45.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 108.294 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.497 ' HA ' ' CE2' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -138.94 162.35 35.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.422 ' HE1' HD11 ' A' ' 96' ' ' ILE . 32.7 p90 -130.58 176.61 8.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.476 ' OE1' ' CD ' ' A' ' 103' ' ' ARG . 8.3 pt-20 -128.84 150.09 50.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.449 HG12 HG22 ' A' ' 81' ' ' VAL . 37.0 mt -124.26 91.91 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.867 HG22 ' HA ' ' A' ' 103' ' ' ARG . 46.6 p -103.89 -175.68 2.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.453 ' CA ' ' O ' ' A' ' 78' ' ' GLY . . . 149.17 45.31 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.12 -167.99 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 110.06 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.583 HG22 HG23 ' A' ' 101' ' ' VAL . 6.3 m -58.35 -56.33 23.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.583 HG23 HG22 ' A' ' 100' ' ' THR . 98.1 t -155.79 65.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -126.27 145.95 50.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.867 ' HA ' HG22 ' A' ' 97' ' ' THR . 20.7 ttm105 -145.81 134.28 21.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.845 HG23 ' HG3' ' A' ' 36' ' ' MET . 5.4 mt -114.66 107.46 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 42.2 t -89.92 97.75 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.3 t -87.34 121.88 38.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -76.45 155.13 34.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.63 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.442 ' CB ' ' HB2' ' A' ' 114' ' ' PHE . 28.4 p -95.83 124.83 40.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 108.237 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -54.05 -53.03 58.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -140.87 -57.16 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.2 t30 177.39 -48.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -60.93 -61.28 2.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 112' ' ' GLN . 0.8 OUTLIER -40.26 -63.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 115' ' ' GLN . 0.9 OUTLIER -51.29 -54.38 26.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 111.006 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.5 ' N ' ' CD1' ' A' ' 114' ' ' PHE . 0.7 OUTLIER -37.24 -72.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -45.64 -58.97 3.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.61 ' HZ3' HD13 ' A' ' 51' ' ' LEU . 26.0 m95 -43.21 -68.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 108.03 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.409 ' HG3' ' N ' ' A' ' 119' ' ' GLU . 0.7 OUTLIER -54.75 -19.37 6.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 116' ' ' GLU . 0.8 OUTLIER -75.62 -70.66 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.272 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.621 ' OE1' HD23 ' A' ' 51' ' ' LEU . 8.0 pt20 -47.01 -54.4 10.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 117' ' ' TRP . 5.5 mt -44.08 -52.02 7.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -48.56 -34.99 12.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 120' ' ' GLN . 28.4 ttt180 -83.06 -58.39 2.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.851 HD13 ' HA ' ' A' ' 53' ' ' SER . 9.5 mt -46.52 -56.91 5.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 121' ' ' LEU . 26.4 p -68.29 -63.94 0.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.373 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.454 ' N ' ' OG1' ' A' ' 125' ' ' THR . 4.2 tttt 76.9 101.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.9 m -103.92 -64.62 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.955 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -127.77 156.21 20.51 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.538 1.149 . . . . 0.0 110.953 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 131' ' ' SER . 18.2 Cg_endo -75.03 91.37 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.45 1.763 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.405 ' O ' ' CB ' ' A' ' 131' ' ' SER . 0.5 OUTLIER 68.17 -69.49 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.007 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 129' ' ' PRO . 0.1 OUTLIER 78.3 161.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.132 . . . . 0.0 111.001 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.4 m 62.24 138.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.788 . . . . 0.0 109.998 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.05 -59.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.14 163.06 21.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.9 p -142.01 82.02 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 110.037 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.5 p -94.11 171.91 8.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.059 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.02 -145.23 0.79 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -102.32 -62.97 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 110.293 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.042 HD11 ' CE ' ' A' ' 31' ' ' MET . 19.2 mm 65.2 -76.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' GLN . 0.2 OUTLIER -96.74 103.89 15.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.02 -39.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -146.4 160.05 43.21 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 151.17 39.29 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.451 1.763 . . . . 0.0 111.035 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.862 HD13 HD21 ' A' ' 59' ' ' LEU . 6.0 mt -79.0 126.93 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.708 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 4.0 tt0 -60.86 139.33 58.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 85.57 -38.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.537 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 33.8 t-105 -40.19 114.32 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 107.993 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -64.36 -175.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 20' ' ' ASP . . . -51.87 -43.23 54.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.115 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 19' ' ' GLY . 7.0 m-20 -38.79 136.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.544 ' HB3' HG23 ' A' ' 24' ' ' THR . 2.0 m-20 -84.56 151.91 24.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.537 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 12.4 tt -93.91 -19.58 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -74.83 -2.94 28.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.544 HG23 ' HB3' ' A' ' 21' ' ' ASP . 56.2 p -85.39 -27.61 25.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.348 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.484 HD13 HG11 ' A' ' 55' ' ' VAL . 74.9 mt -75.31 -66.0 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.153 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 163.71 -141.75 7.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.105 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.48 173.36 6.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 0.752 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.825 HG22 ' HE1' ' A' ' 52' ' ' PHE . 69.6 t -95.7 104.2 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.726 HD11 ' HB3' ' A' ' 53' ' ' SER . 67.0 mt -57.83 -77.51 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.584 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -129.56 123.66 31.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' MET . . . . . 1.042 ' CE ' HD11 ' A' ' 9' ' ' ILE . 16.9 ptm -126.84 133.45 50.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.4 t -160.81 166.85 27.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 109.945 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -86.05 104.83 16.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.253 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.7 m -105.25 179.34 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.612 HG21 ' HD3' ' A' ' 44' ' ' LYS . 2.0 t -130.05 117.5 40.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.465 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.7 tmm? -139.64 122.28 16.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.448 ' OE1' ' N ' ' A' ' 38' ' ' HIS . 23.9 tm0? -122.81 -73.65 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.448 ' N ' ' OE1' ' A' ' 37' ' ' GLN . 51.5 t60 65.19 151.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.617 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 64.66 107.02 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.519 1.137 . . . . 0.0 111.043 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 41' ' ' CYS . . . 45.25 85.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 0.761 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 42' ' ' GLU . 30.2 p -54.86 -171.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 108.333 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER 163.8 -44.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' CG ' ' C ' ' A' ' 42' ' ' GLU . 7.1 mt-10 -154.76 176.86 11.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 110.232 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.612 ' HD3' HG21 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -90.11 102.21 14.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.235 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 36' ' ' MET . 0.6 OUTLIER -75.48 94.19 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.563 ' HG3' HG22 ' A' ' 35' ' ' VAL . 11.4 mt-10 -74.69 147.54 41.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.43 174.23 13.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -120.04 110.67 16.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 111.062 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.596 ' C ' HD23 ' A' ' 50' ' ' LEU . 3.2 m-30 -99.17 125.2 44.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.909 HD11 HD22 ' A' ' 59' ' ' LEU . 1.3 mt -115.36 110.57 19.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.558 HD21 HD12 ' A' ' 124' ' ' LEU . 6.1 tp -85.86 115.69 23.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.825 ' HE1' HG22 ' A' ' 28' ' ' VAL . 7.3 m-30 -99.63 4.2 45.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.726 ' HB3' HD11 ' A' ' 29' ' ' ILE . 1.1 p 74.08 40.76 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.959 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.08 -30.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.954 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.484 HG11 HD13 ' A' ' 25' ' ' LEU . 8.8 p -142.43 155.82 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.814 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.0 tm? -111.25 93.69 4.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.611 HG13 ' CE2' ' A' ' 52' ' ' PHE . 11.8 mm -77.12 130.29 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.647 ' O ' HD12 ' A' ' 59' ' ' LEU . 31.9 mtm -115.16 130.13 56.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.909 HD22 HD11 ' A' ' 50' ' ' LEU . 3.9 mp -120.43 159.92 24.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 57.4 m -137.99 148.87 45.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.996 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -125.11 66.2 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.481 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.3 OUTLIER -79.16 -55.23 0.94 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.992 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.4 Cg_endo -75.03 131.26 14.05 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.499 1.789 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.51 ' O ' ' C ' ' A' ' 65' ' ' MET . 17.3 ttt180 -55.9 144.91 26.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.51 ' C ' ' O ' ' A' ' 64' ' ' ARG . 2.8 ptm 28.47 62.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.0 t -138.76 52.47 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.98 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 39.53 -144.88 0.32 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.125 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.71 ' CD2' HD23 ' A' ' 59' ' ' LEU . 19.6 m-30 -115.99 154.84 29.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 16.1 ttt -118.4 116.63 27.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.475 ' CD1' ' CZ3' ' A' ' 17' ' ' TRP . 60.5 t80 -71.83 111.18 6.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -83.07 -74.17 0.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -143.99 177.85 22.41 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.523 1.14 . . . . 0.0 111.0 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.475 ' HD3' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -137.77 138.87 39.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.597 HG22 ' HE2' ' A' ' 79' ' ' MET . 8.4 mt -119.59 122.89 28.94 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 127.72 10.91 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.47 1.774 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.833 HD13 ' SD ' ' A' ' 79' ' ' MET . 23.4 mm -55.12 -26.38 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.42 -72.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.02 -17.23 69.52 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.11 . . . . 0.0 111.06 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.833 ' SD ' HD13 ' A' ' 76' ' ' ILE . 28.5 ttm -55.86 154.79 6.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 0.753 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.6 t -142.58 107.09 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.898 HG21 HD22 ' A' ' 121' ' ' LEU . 5.3 t -111.57 126.71 68.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 81' ' ' VAL . 68.8 m-20 -149.34 174.71 12.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.441 ' HB3' ' CB ' ' A' ' 91' ' ' ASP . 25.8 mtt85 -89.47 29.1 1.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.773 HD11 ' CG ' ' A' ' 95' ' ' GLU . 1.4 mp 40.42 32.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.495 ' OD1' ' CD1' ' A' ' 87' ' ' ILE . 2.3 m-20 -166.37 109.1 0.74 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -70.0 -16.0 63.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.267 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.569 HG22 ' H ' ' A' ' 88' ' ' GLU . 0.8 OUTLIER -62.88 -138.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.569 ' H ' HG22 ' A' ' 87' ' ' ILE . 12.4 pt-20 -151.92 142.18 22.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 44.46 25.43 0.81 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.417 ' O ' ' CG ' ' A' ' 85' ' ' ASP . 0.5 OUTLIER -130.29 56.0 1.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 110.026 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.441 ' CB ' ' HB3' ' A' ' 83' ' ' ARG . 9.7 p-10 -135.42 -169.09 2.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -164.82 -70.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 108.28 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.8 mtp -105.14 -170.85 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -150.43 164.48 35.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.773 ' CG ' HD11 ' A' ' 84' ' ' LEU . 9.1 pt-20 -126.34 156.46 40.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.418 HG23 ' HG3' ' A' ' 79' ' ' MET . 71.7 mt -121.35 98.55 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.998 HG22 ' HA ' ' A' ' 103' ' ' ARG . 43.3 p -109.32 -175.89 2.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 110.411 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.37 -48.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.07 -176.3 3.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 0.771 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.5 t -86.05 48.22 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.452 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.2 p -174.08 -42.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -49.34 153.33 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.241 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.998 ' HA ' HG22 ' A' ' 97' ' ' THR . 39.2 ttt180 -178.52 104.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.546 ' O ' HG22 ' A' ' 104' ' ' ILE . 0.9 OUTLIER -103.86 104.26 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.4 t -86.97 98.75 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.0 t -85.27 126.55 40.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -82.18 130.25 35.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.557 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 31.9 p -44.09 151.06 0.25 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 108.291 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.92 -59.49 1.97 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -157.66 -59.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.8 t30 178.24 -62.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -61.47 2.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -46.56 -63.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.484 ' CE1' ' HG3' ' A' ' 118' ' ' MET . 25.0 t80 -43.37 -57.37 3.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -42.73 -60.08 1.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.318 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -45.33 -59.24 2.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.623 ' HE3' HD11 ' A' ' 121' ' ' LEU . 62.4 m95 -46.5 -46.78 19.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 108.02 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.484 ' HG3' ' CE1' ' A' ' 114' ' ' PHE . 99.1 mmm -68.59 -27.86 66.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.987 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 116' ' ' GLU . 1.0 OUTLIER -75.0 -51.2 14.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.505 ' O ' ' CG ' ' A' ' 123' ' ' ARG . 1.4 pt20 -65.65 -59.42 3.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.898 HD22 HG21 ' A' ' 81' ' ' VAL . 7.6 mt -49.03 -23.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.4 OUTLIER -64.73 -28.36 69.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.691 ' HG3' HD23 ' A' ' 124' ' ' LEU . 3.1 ptt180 -104.74 -31.54 9.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.691 HD23 ' HG3' ' A' ' 123' ' ' ARG . 9.0 mt -65.9 -64.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.522 HG22 HG23 ' A' ' 76' ' ' ILE . 43.2 p -78.35 -44.19 25.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.434 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 40.77 71.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.4 m -104.17 93.43 4.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.981 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 132.3 -149.52 19.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -34.82 3.51 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 71.15 -65.35 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.025 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 87.5 p -65.59 90.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.024 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.464 1.103 . . . . 0.0 110.975 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.7 p -54.56 102.92 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 0.769 . . . . 0.0 110.024 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -166.03 -60.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.03 -125.83 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 m -54.27 135.21 44.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 110.012 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -167.34 83.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.982 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.31 149.96 21.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 0.0 110.957 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -155.23 162.71 40.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.763 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.856 HG22 ' HG ' ' A' ' 10' ' ' LEU . 40.4 mm -79.07 -100.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.856 ' HG ' HG22 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -132.23 -67.01 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.615 ' H ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -179.11 -62.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 109.972 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' SER . 10.2 mt-10 -38.5 157.35 0.11 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 144.59 30.36 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.789 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.901 ' CD1' HD21 ' A' ' 59' ' ' LEU . 5.6 mt -65.8 117.94 7.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.667 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -57.84 154.56 11.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 81.83 -44.7 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.592 ' CH2' ' CD1' ' A' ' 22' ' ' ILE . 22.4 t-105 -37.08 136.17 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 108.022 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -163.65 147.59 10.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.51 137.91 0.14 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.432 1.083 . . . . 0.0 111.03 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 53.35 173.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.77 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -105.37 170.09 8.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.592 ' CD1' ' CH2' ' A' ' 17' ' ' TRP . 11.1 tt -96.02 -28.35 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -68.05 -15.59 63.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.4 p -75.55 -28.88 59.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.361 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.523 HD13 HG11 ' A' ' 55' ' ' VAL . 93.2 mt -71.17 -78.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.62 165.39 21.8 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.406 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 10.2 p-10 -54.37 -179.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.77 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.894 HG22 ' CE1' ' A' ' 52' ' ' PHE . 97.2 t -104.33 105.42 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.592 HG22 ' N ' ' A' ' 30' ' ' PHE . 16.6 mt -52.69 -77.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.592 ' N ' HG22 ' A' ' 29' ' ' ILE . 3.4 t80 -136.42 129.73 31.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 111.035 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.473 ' HB2' HD22 ' A' ' 50' ' ' LEU . 4.8 ptm -128.59 137.36 51.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.41 ' O ' HG13 ' A' ' 34' ' ' VAL . 4.6 p -161.84 152.63 17.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -68.49 107.31 2.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.428 ' HB ' HG13 ' A' ' 106' ' ' VAL . 17.4 m -107.04 175.51 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.585 HG22 ' HG3' ' A' ' 46' ' ' GLU . 2.1 t -126.2 108.61 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.781 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.7 tmm? -131.55 124.03 29.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -123.37 -173.72 2.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -173.47 -49.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.593 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.96 -27.35 10.35 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 62.54 152.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 0.772 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.3 t -150.62 -74.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 108.332 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.54 -58.69 1.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 44' ' ' LYS . 8.4 mt-10 -149.62 -166.2 2.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 43' ' ' GLU . 13.5 mttt -39.15 157.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 36' ' ' MET . 37.1 mm-40 -113.43 91.68 3.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.585 ' HG3' HG22 ' A' ' 35' ' ' VAL . 15.5 mt-10 -74.43 144.32 44.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.241 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -162.35 169.45 20.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -111.95 124.46 52.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.588 ' HZ ' HD13 ' A' ' 104' ' ' ILE . 1.8 m-30 -113.18 111.32 21.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.054 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.564 HD23 ' N ' ' A' ' 50' ' ' LEU . 1.8 mt -100.34 107.72 19.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.368 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.556 ' HB2' ' CZ3' ' A' ' 117' ' ' TRP . 7.5 tp -85.02 113.61 21.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.894 ' CE1' HG22 ' A' ' 28' ' ' VAL . 7.2 m-30 -95.7 -3.84 45.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.755 ' HA ' HD13 ' A' ' 124' ' ' LEU . 0.4 OUTLIER 83.92 -13.18 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.979 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.02 -8.3 8.3 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.523 HG11 HD13 ' A' ' 25' ' ' LEU . 2.6 p -175.05 153.05 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.883 HD13 ' O ' ' A' ' 56' ' ' LEU . 1.3 tm? -102.42 96.99 7.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.587 HG13 ' CE2' ' A' ' 52' ' ' PHE . 15.0 mm -77.12 139.16 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.699 ' O ' HD12 ' A' ' 59' ' ' LEU . 17.3 mtm -120.19 137.14 54.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.901 HD21 ' CD1' ' A' ' 14' ' ' ILE . 10.0 mp -126.76 158.53 36.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.3 t -140.61 152.14 45.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -141.65 78.59 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.479 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -64.78 -52.81 48.16 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 110.004 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 62' ' ' SER . 18.2 Cg_endo -75.01 -174.04 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.785 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -62.52 162.23 10.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.414 ' O ' ' HG3' ' A' ' 65' ' ' MET . 5.1 ptm -47.89 113.53 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.2 t 179.93 85.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.512 ' HA2' HD21 ' A' ' 10' ' ' LEU . . . 69.72 -171.22 41.76 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.813 ' CB ' HD23 ' A' ' 59' ' ' LEU . 8.9 m-85 -136.44 174.96 10.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 6.4 ttt -135.27 108.75 7.88 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.492 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 66.4 t80 -56.06 133.28 51.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -135.74 92.96 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 59.03 169.26 0.25 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -151.34 136.36 17.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.735 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.827 HD12 HD12 ' A' ' 56' ' ' LEU . 10.0 mt -100.23 124.8 41.85 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 136.52 20.46 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.778 HD13 ' SD ' ' A' ' 79' ' ' MET . 14.5 mm -61.31 -26.0 38.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.51 -77.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -82.79 42.59 2.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.778 ' SD ' HD13 ' A' ' 76' ' ' ILE . 10.3 ttm -98.66 111.15 23.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.744 . . . . 0.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.2 t -102.03 107.34 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.776 HG21 HD22 ' A' ' 121' ' ' LEU . 4.0 t -116.29 132.8 64.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -151.36 160.49 43.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -90.91 25.47 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.548 HD13 ' OE1' ' A' ' 95' ' ' GLU . 0.2 OUTLIER 40.25 66.28 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -100.71 9.84 41.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -69.59 -6.87 33.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 110.24 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -102.43 -147.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -149.28 48.68 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 119.62 104.62 2.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.02 59.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 56.66 169.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.51 ' O ' ' CG ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -83.64 -78.43 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 108.351 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.51 ' CG ' ' O ' ' A' ' 92' ' ' CYS . 19.6 ptm 44.08 -170.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -166.08 160.2 16.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.669 ' HG2' HG23 ' A' ' 97' ' ' THR . 0.7 OUTLIER -119.02 163.57 16.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 110.225 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.51 HG22 HD13 ' A' ' 74' ' ' ILE . 48.4 mt -130.27 96.37 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.984 HG22 ' HA ' ' A' ' 103' ' ' ARG . 60.8 p -116.36 -175.92 2.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -161.92 -42.97 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.57 -168.09 1.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 0.736 . . . . 0.0 110.001 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.443 ' C ' HG23 ' A' ' 101' ' ' VAL . 12.9 t -93.31 35.12 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.443 HG23 ' C ' ' A' ' 100' ' ' THR . 47.9 t -153.11 -45.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -63.83 139.77 58.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.984 ' HA ' HG22 ' A' ' 97' ' ' THR . 49.0 ttp180 -167.5 111.84 0.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.781 HG23 ' HG3' ' A' ' 36' ' ' MET . 4.2 mt -111.79 121.54 64.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.426 ' O ' HG12 ' A' ' 105' ' ' VAL . 4.1 t -99.77 97.63 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.428 HG13 ' HB ' ' A' ' 34' ' ' VAL . 17.1 t -87.57 114.72 26.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -77.07 142.58 39.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.603 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.538 ' CB ' ' CD1' ' A' ' 114' ' ' PHE . 21.5 p -119.18 173.98 6.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 108.319 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -128.62 11.45 6.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 57.8 t30 55.05 100.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -172.46 178.82 2.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.43 -25.76 62.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.256 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.51 -55.5 8.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.538 ' CD1' ' CB ' ' A' ' 108' ' ' CYS . 67.3 t80 -47.53 -58.76 3.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -40.67 -61.07 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.342 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -39.08 -66.37 0.29 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 110.274 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.586 ' C ' HD12 ' A' ' 121' ' ' LEU . 47.0 m95 -40.03 -56.09 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 108.023 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.04 -44.13 82.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.415 ' CG ' ' N ' ' A' ' 120' ' ' GLN . 1.5 tt0 -54.57 -67.71 0.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.505 ' OE1' ' CG2' ' A' ' 29' ' ' ILE . 8.8 pt20 -53.98 -57.6 10.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.776 HD22 HG21 ' A' ' 81' ' ' VAL . 7.1 mt -42.72 -36.33 1.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -65.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.5 ' CG ' ' N ' ' A' ' 124' ' ' LEU . 1.1 ptm180 -61.37 -41.47 97.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.251 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.755 HD13 ' HA ' ' A' ' 53' ' ' SER . 6.6 mt -52.1 -83.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 72.4 p -45.58 -34.79 3.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 0.0 110.393 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt 57.17 78.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.92 113.79 15.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 114.09 149.71 10.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.453 1.096 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -50.44 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 7.9 t -120.72 148.55 43.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.1 t -55.84 -57.38 12.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.59 -57.2 1.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 0.76 . . . . 0.0 109.97 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.82 154.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 109.963 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.78 150.67 19.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.6 m -161.18 173.75 14.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 109.975 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.431 ' O ' HD11 ' A' ' 10' ' ' LEU . 1.4 m -40.91 155.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 110.025 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.73 69.08 2.75 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -170.61 -50.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 110.313 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.55 HD12 ' CE2' ' A' ' 68' ' ' PHE . 1.6 tt -53.62 -20.78 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.431 HD11 ' O ' ' A' ' 6' ' ' SER . 0.2 OUTLIER -117.27 24.42 11.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.8 t -147.27 -69.65 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.987 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -76.81 152.95 83.05 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 170.5 20.28 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.546 HD13 HD21 ' A' ' 59' ' ' LEU . 4.3 mt -88.89 150.23 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.606 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 5.8 tt0 -90.8 133.07 35.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 77.14 16.61 1.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.757 ' CH2' HD12 ' A' ' 22' ' ' ILE . 73.5 t-105 -77.93 112.16 14.53 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -59.92 -177.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.85 -169.96 0.26 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.566 1.166 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 61.11 118.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.529 ' CB ' HG23 ' A' ' 24' ' ' THR . 0.4 OUTLIER -55.95 155.23 6.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.757 HD12 ' CH2' ' A' ' 17' ' ' TRP . 13.1 tt -82.37 -32.14 10.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -23.19 62.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.529 HG23 ' CB ' ' A' ' 21' ' ' ASP . 20.8 p -67.41 -28.46 67.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.433 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.93 -65.81 0.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.17 -149.95 17.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -101.68 -174.11 2.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 0.775 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.858 HG22 ' CE1' ' A' ' 52' ' ' PHE . 79.2 t -111.4 95.85 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.66 HD11 ' HB2' ' A' ' 53' ' ' SER . 55.5 mt -49.25 -78.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.571 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -123.67 121.07 34.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.965 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.898 ' HE2' HD22 ' A' ' 50' ' ' LEU . 32.1 ttm -123.67 123.96 41.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.2 t -158.88 164.39 35.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -81.49 109.0 15.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.479 ' HB ' HG13 ' A' ' 106' ' ' VAL . 16.8 m -105.05 172.8 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.548 HG22 ' HG3' ' A' ' 46' ' ' GLU . 2.2 t -122.8 116.63 49.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.637 ' O ' ' CB ' ' A' ' 37' ' ' GLN . 1.6 tmm? -140.63 123.66 16.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.637 ' CB ' ' O ' ' A' ' 36' ' ' MET . 4.0 tp-100 97.74 159.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -171.95 158.51 4.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.592 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.62 -174.93 47.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.78 72.61 8.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.7 t -127.98 -53.92 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 108.298 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.416 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 2.4 mt-10 -166.27 -79.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.416 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 5.2 mm-40 -141.16 -169.85 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -42.93 163.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.514 ' CB ' ' HB3' ' A' ' 37' ' ' GLN . 68.6 mm-40 -104.65 86.8 2.55 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.548 ' HG3' HG22 ' A' ' 35' ' ' VAL . 11.4 mt-10 -71.55 148.65 46.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.54 174.44 13.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.416 ' O ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -117.18 128.03 54.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.648 ' C ' HD23 ' A' ' 50' ' ' LEU . 2.8 m-30 -117.55 119.86 36.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.898 HD22 ' HE2' ' A' ' 31' ' ' MET . 0.3 OUTLIER -107.9 111.81 24.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.595 HD21 HD12 ' A' ' 124' ' ' LEU . 6.2 tp -86.94 110.21 19.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.858 ' CE1' HG22 ' A' ' 28' ' ' VAL . 6.8 m-30 -98.6 7.03 46.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.66 ' HB2' HD11 ' A' ' 29' ' ' ILE . 4.5 t 65.44 48.55 2.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.152 . . . . 0.0 110.034 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.415 ' N ' HG13 ' A' ' 76' ' ' ILE . 0.3 OUTLIER 167.02 -26.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.034 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.7 p -149.86 142.49 17.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.78 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.2 tm? -101.59 94.06 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.608 HG13 ' CE2' ' A' ' 52' ' ' PHE . 11.6 mm -76.73 127.44 37.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.585 ' O ' HD12 ' A' ' 59' ' ' LEU . 35.8 mtm -112.61 135.74 52.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.717 HD22 HD11 ' A' ' 50' ' ' LEU . 1.6 mp -121.32 162.13 20.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 69' ' ' MET . 0.7 OUTLIER -140.41 123.37 16.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.984 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.65 158.99 18.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.481 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.1 OUTLIER 173.99 -54.91 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.2 Cg_endo -75.07 -171.49 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.542 1.812 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -128.31 152.17 48.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.301 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.4 tpt 59.7 85.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.3 p 168.32 -31.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.86 -115.92 5.44 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.454 1.097 . . . . 0.0 110.975 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.55 ' CE2' HD12 ' A' ' 9' ' ' ILE . 25.2 m-85 -122.36 158.56 29.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 60' ' ' SER . 5.9 ttt -120.07 130.14 54.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -85.45 148.27 26.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -121.69 -72.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 110.288 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -137.7 168.82 24.36 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.145 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -138.29 130.08 28.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 0.0 109.361 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.564 HD11 HD12 ' A' ' 104' ' ' ILE . 14.1 mt -108.51 122.07 41.43 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 129.24 12.15 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.485 1.781 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.812 HD13 ' SD ' ' A' ' 79' ' ' MET . 29.0 mm -54.45 -25.41 14.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.13 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.67 -66.49 0.46 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.435 ' O ' ' CA ' ' A' ' 98' ' ' GLY . . . -84.23 15.41 39.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.812 ' SD ' HD13 ' A' ' 76' ' ' ILE . 22.3 ttm -83.3 143.78 30.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 111.05 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.3 t -125.65 107.98 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.654 HG21 HD22 ' A' ' 121' ' ' LEU . 9.6 t -106.65 139.08 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 84' ' ' LEU . 21.3 m-20 179.78 132.42 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 84' ' ' LEU . 1.7 ptp85 -69.97 57.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.433 HD21 ' HB3' ' A' ' 95' ' ' GLU . 4.0 mm? 37.9 88.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.05 114.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.504 ' O ' ' C ' ' A' ' 87' ' ' ILE . 19.2 mt-10 -72.76 -23.3 60.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.778 HG22 ' HG2' ' A' ' 88' ' ' GLU . 47.4 mm 31.56 -106.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.778 ' HG2' HG22 ' A' ' 87' ' ' ILE . 5.4 pt-20 -155.12 107.38 2.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 52.52 50.65 47.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.461 1.101 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.9 t -115.65 87.07 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.785 . . . . 0.0 110.039 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -104.03 145.97 29.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.44 ' O ' ' CE1' ' A' ' 114' ' ' PHE . 0.1 OUTLIER 178.08 -72.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 108.28 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.417 ' O ' ' HA ' ' A' ' 83' ' ' ARG . 2.0 ptm -141.22 162.89 34.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -132.24 169.34 16.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.477 ' OE1' ' CD ' ' A' ' 103' ' ' ARG . 6.3 pt-20 -122.62 141.05 52.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 74.3 mt -110.9 100.87 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.698 HG22 ' HA ' ' A' ' 103' ' ' ARG . 52.5 p -123.77 -175.87 3.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.384 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.435 ' CA ' ' O ' ' A' ' 78' ' ' GLY . . . 178.56 -79.87 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.2 -19.27 13.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.028 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.457 HG22 ' H ' ' A' ' 101' ' ' VAL . 49.3 m -90.37 172.37 8.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.368 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.457 ' H ' HG22 ' A' ' 100' ' ' THR . 11.2 m -116.35 -31.66 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.432 ' H ' HG22 ' A' ' 100' ' ' THR . 14.2 tp10 -38.48 -38.8 0.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.698 ' HA ' HG22 ' A' ' 97' ' ' THR . 27.9 ttp180 63.72 127.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.564 HD12 HD11 ' A' ' 74' ' ' ILE . 2.3 mt -95.63 109.21 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.438 HG23 ' NE ' ' A' ' 103' ' ' ARG . 50.1 t -96.47 98.35 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.479 HG13 ' HB ' ' A' ' 34' ' ' VAL . 10.5 t -86.46 117.9 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -70.33 148.83 48.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.626 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.514 ' SG ' ' CG ' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -47.78 108.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 108.346 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -41.3 -49.94 3.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -170.78 -66.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -170.69 -70.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.06 -55.93 7.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 1.3 m-20 -48.39 -52.42 21.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.514 ' CG ' ' SG ' ' A' ' 108' ' ' CYS . 12.4 t80 -48.8 -59.01 3.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.12 -46.25 11.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -52.27 -58.7 5.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.295 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.845 ' O ' HD12 ' A' ' 121' ' ' LEU . 54.6 m95 -45.64 -43.51 12.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 107.952 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.411 ' O ' ' HB2' ' A' ' 122' ' ' ASN . 0.0 OUTLIER -65.75 -35.57 81.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 111.028 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 122' ' ' ASN . 0.0 OUTLIER -65.87 -64.0 0.96 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.505 ' O ' ' N ' ' A' ' 123' ' ' ARG . 0.3 OUTLIER -50.01 -58.42 5.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 110.262 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.845 HD12 ' O ' ' A' ' 117' ' ' TRP . 6.5 mt -50.57 -22.67 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 119' ' ' GLU . 1.2 t-20 -72.45 -27.78 62.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.718 ' NH1' HD21 ' A' ' 124' ' ' LEU . 4.2 ptm180 -105.31 -33.82 8.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.34 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.718 HD21 ' NH1' ' A' ' 123' ' ' ARG . 19.7 mt -59.12 -77.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.43 ' HA ' ' CG2' ' A' ' 76' ' ' ILE . 70.8 p -48.15 -30.02 4.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.369 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -54.95 -68.48 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.2 t 71.25 -68.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.004 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -124.86 157.15 19.07 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.552 1.157 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 89.32 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.96 150.84 47.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.97 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 88.7 p -173.56 164.61 4.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.035 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -118.62 162.76 29.07 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.02 43.01 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 111.043 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.733 ' CD1' HD21 ' A' ' 59' ' ' LEU . 9.6 mt -74.55 125.04 33.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.72 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 3.6 tt0 -57.84 139.56 53.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 86.73 -37.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.594 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 31.3 t-105 -40.52 131.97 2.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 107.997 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -168.54 112.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.26 -78.67 0.08 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -142.41 -72.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.699 ' O ' HG22 ' A' ' 24' ' ' THR . 0.4 OUTLIER -170.27 160.29 7.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.594 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 4.8 tt -94.47 -32.07 4.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.07 -10.83 60.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.699 HG22 ' O ' ' A' ' 21' ' ' ASP . 6.1 t -84.03 -27.39 28.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 110.427 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.9 mt -68.33 -46.84 69.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 158.46 -118.04 0.81 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.469 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 1.2 m-20 -134.6 -166.04 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 109.359 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.81 HG22 ' HE1' ' A' ' 52' ' ' PHE . 74.6 t -118.44 93.9 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.753 HD11 ' CB ' ' A' ' 53' ' ' SER . 61.0 mt -48.46 -78.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 113' ' ' ASP . 0.3 OUTLIER -124.14 123.32 40.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.642 ' HE2' HD22 ' A' ' 50' ' ' LEU . 35.8 ttm -124.0 127.46 47.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.6 t -160.83 166.93 27.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.993 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -85.85 108.39 18.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 110.336 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.482 ' HB ' ' CG1' ' A' ' 106' ' ' VAL . 11.3 m -105.49 177.92 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 35' ' ' VAL . 1.4 t -131.7 107.22 12.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.455 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 3.4 tmm? -128.15 121.17 28.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.431 ' CB ' ' HB2' ' A' ' 45' ' ' GLU . 9.8 tm0? -129.11 -72.74 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -177.25 -170.94 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.627 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.25 71.24 2.73 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.143 . . . . 0.0 111.052 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 60.2 111.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 0.78 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.9 t -147.1 -74.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 108.305 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.423 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 5.7 mt-10 -123.85 -71.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.423 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 10.3 mm-40 -141.42 -168.52 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.262 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -84.16 -179.47 7.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' A' ' 36' ' ' MET . 1.1 mm-40 -151.17 99.97 2.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.454 ' HG2' HG23 ' A' ' 35' ' ' VAL . 1.3 mt-10 -73.69 139.82 45.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.45 165.68 25.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -107.17 133.63 51.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.782 ' C ' HD23 ' A' ' 50' ' ' LEU . 2.0 m-30 -119.04 125.81 50.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.782 HD23 ' C ' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -115.5 110.01 18.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.638 HD23 ' OE1' ' A' ' 120' ' ' GLN . 6.8 tp -88.45 111.65 22.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.81 ' HE1' HG22 ' A' ' 28' ' ' VAL . 7.7 m-30 -94.68 -4.69 47.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.16 . . . . 0.0 111.042 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.753 ' CB ' HD11 ' A' ' 29' ' ' ILE . 0.5 OUTLIER 84.23 -13.66 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.991 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.36 -4.28 7.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.401 HG21 ' HD3' ' A' ' 73' ' ' LYS . 1.2 p -176.27 154.26 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.372 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.789 HD13 ' O ' ' A' ' 56' ' ' LEU . 1.3 tm? -106.45 98.96 8.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.584 HG13 ' CE2' ' A' ' 52' ' ' PHE . 11.5 mm -81.59 134.81 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.643 ' O ' HD12 ' A' ' 59' ' ' LEU . 38.1 mtm -119.04 133.79 55.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.739 HD22 HD11 ' A' ' 50' ' ' LEU . 4.2 mp -121.38 160.22 24.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.1 t -138.75 152.69 48.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -126.92 62.37 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.483 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -43.02 -52.9 11.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 62' ' ' SER . 18.3 Cg_endo -75.02 -162.64 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.526 1.803 . . . . 0.0 111.004 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.52 -85.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.332 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -134.91 109.8 8.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.3 t 179.71 90.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.94 -166.65 2.68 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.51 ' CD1' ' HB3' ' A' ' 59' ' ' LEU . 7.5 m-85 -128.96 171.15 12.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 0.737 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 20.6 ttt -128.11 118.54 23.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.476 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 23.4 t80 -74.01 123.16 23.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -94.68 -70.59 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -146.75 172.16 27.34 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.459 1.099 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.401 ' HD3' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -132.08 139.03 48.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.766 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.789 HD12 HD12 ' A' ' 56' ' ' LEU . 2.5 mt -117.58 115.78 37.23 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.452 ' C ' ' N ' ' A' ' 77' ' ' ALA . 18.2 Cg_endo -75.04 127.11 10.39 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 40.8 mm -41.07 -28.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.244 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.452 ' N ' ' C ' ' A' ' 75' ' ' PRO . . . -70.04 132.07 45.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.97 -15.8 25.02 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.53 ' HE3' ' HB ' ' A' ' 74' ' ' ILE . 3.5 tpp -53.04 153.11 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 36.8 t -138.73 111.53 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.7 t -131.43 119.05 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 83' ' ' ARG . 72.0 m-20 -149.4 41.81 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.536 ' HB3' ' HE2' ' A' ' 118' ' ' MET . 28.0 ptt180 38.11 37.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.788 HD13 ' CE ' ' A' ' 93' ' ' MET . 2.8 mt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.492 ' O ' ' CG ' ' A' ' 93' ' ' MET . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.788 ' CE ' HD13 ' A' ' 84' ' ' LEU . 15.5 ptt? 42.57 -167.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.45 ' CB ' ' HA ' ' A' ' 83' ' ' ARG . 17.9 p90 -167.65 157.56 10.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.569 ' HB3' HD11 ' A' ' 84' ' ' LEU . 9.6 pt-20 -112.71 166.23 11.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.375 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.44 HD11 ' HE2' ' A' ' 94' ' ' PHE . 52.4 mt -135.85 93.01 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.847 HG22 ' HA ' ' A' ' 103' ' ' ARG . 21.9 p -113.94 -175.48 2.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 134.08 60.79 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.55 -170.16 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.963 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.442 HG22 HG12 ' A' ' 101' ' ' VAL . 97.5 m -42.56 -63.86 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.361 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.655 HG22 ' O ' ' A' ' 101' ' ' VAL . 2.1 p -163.79 63.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 103' ' ' ARG . 1.1 tp10 -124.6 137.58 54.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.847 ' HA ' HG22 ' A' ' 97' ' ' THR . 43.6 ttp180 -137.81 119.53 15.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.63 ' CD1' HD11 ' A' ' 74' ' ' ILE . 1.9 mt -96.9 110.44 24.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.0 t -97.67 98.49 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.482 ' CG1' ' HB ' ' A' ' 34' ' ' VAL . 4.6 t -85.03 135.68 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.46 157.82 37.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.592 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.16 -168.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 108.282 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -160.06 -44.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 72.14 79.48 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 179.68 166.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -20.59 11.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 4.3 m-20 -65.67 -53.16 44.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -50.52 -61.48 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -35.8 12.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -57.75 9.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.624 ' O ' HD12 ' A' ' 121' ' ' LEU . 51.5 m95 -47.56 -46.28 27.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 107.95 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.536 ' HE2' ' HB3' ' A' ' 83' ' ' ARG . 94.5 mmm -67.48 -34.61 77.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 122' ' ' ASN . 0.4 OUTLIER -64.91 -53.94 38.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.638 ' OE1' HD23 ' A' ' 51' ' ' LEU . 1.9 pt20 -65.55 -57.58 7.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.35 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 117' ' ' TRP . 9.9 mt -46.93 -27.06 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.3 OUTLIER -68.22 -54.16 19.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.44 ' HG3' ' N ' ' A' ' 124' ' ' LEU . 3.9 ptp180 -74.75 -35.16 62.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.673 HD13 ' HA ' ' A' ' 53' ' ' SER . 6.2 mt -55.93 -76.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 121' ' ' LEU . 60.2 p -46.4 -31.07 2.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.418 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 95.1 mttt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.306 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' GLU . 13.8 m . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' SER . 5.3 mt-10 -38.98 152.76 0.18 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -164.38 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.475 1.776 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.933 ' CD1' HD21 ' A' ' 59' ' ' LEU . 5.2 mt -96.62 152.54 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.666 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 6.2 tt0 -97.76 127.51 43.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 81.5 22.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.792 ' CZ2' HD12 ' A' ' 22' ' ' ILE . 69.7 t-105 -80.25 129.69 34.68 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -126.38 -179.67 4.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.97 -95.7 1.09 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -164.44 -53.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.537 ' CB ' HG23 ' A' ' 24' ' ' THR . 0.4 OUTLIER -160.45 151.26 18.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.792 HD12 ' CZ2' ' A' ' 17' ' ' TRP . 4.9 tt -82.33 -20.67 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -74.3 -7.85 54.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.537 HG23 ' CB ' ' A' ' 21' ' ' ASP . 29.8 p -80.02 -31.48 39.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.443 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 79.4 mt -73.6 -63.67 1.15 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.15 -152.79 22.53 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -105.22 154.54 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.848 HG22 ' CE1' ' A' ' 52' ' ' PHE . 89.5 t -78.5 96.66 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.693 HG22 ' N ' ' A' ' 30' ' ' PHE . 8.0 mt -44.77 -78.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.693 ' N ' HG22 ' A' ' 29' ' ' ILE . 84.4 t80 -141.32 119.53 12.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.5 ptm -112.57 146.14 39.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.3 t -161.63 153.42 19.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -73.85 105.41 5.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.1 m -105.41 178.89 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.565 HG22 ' HG3' ' A' ' 46' ' ' GLU . 2.1 t -131.33 111.64 19.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.69 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.6 tmm? -133.06 119.56 20.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -121.65 -97.69 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -158.55 -51.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.596 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -172.96 -73.8 0.05 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -164.83 101.32 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.6 m -119.51 -71.36 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 108.295 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.448 ' C ' ' CG ' ' A' ' 43' ' ' GLU . 19.5 mt-10 -128.4 -53.44 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.227 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.448 ' CG ' ' C ' ' A' ' 42' ' ' GLU . 4.9 mt-10 -154.18 -176.17 5.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.325 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.401 ' HB2' ' CG1' ' A' ' 35' ' ' VAL . 39.3 pttt -75.63 153.98 36.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 36' ' ' MET . 24.1 tt0 -114.59 104.79 12.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.565 ' HG3' HG22 ' A' ' 35' ' ' VAL . 12.5 mt-10 -80.84 147.98 30.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.64 174.82 12.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -120.56 116.66 25.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.571 ' C ' HD23 ' A' ' 50' ' ' LEU . 2.5 m-30 -104.44 121.28 43.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.956 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.728 HD11 HD22 ' A' ' 59' ' ' LEU . 1.3 mt -108.25 115.06 29.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.865 HD21 HD12 ' A' ' 124' ' ' LEU . 10.4 tp -91.8 112.42 24.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.848 ' CE1' HG22 ' A' ' 28' ' ' VAL . 8.9 m-30 -95.25 0.58 54.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.573 ' CB ' HD11 ' A' ' 29' ' ' ILE . 0.9 OUTLIER 79.36 35.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.001 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.39 -32.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.046 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.8 p -138.24 149.4 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.768 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.4 tm? -107.53 93.45 4.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.625 HG13 ' CE2' ' A' ' 52' ' ' PHE . 5.0 mm -77.03 135.13 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.566 ' O ' HD12 ' A' ' 59' ' ' LEU . 12.6 mtm -119.75 127.85 53.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.933 HD21 ' CD1' ' A' ' 14' ' ' ILE . 1.6 mp -119.24 161.18 20.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.4 m -127.72 135.48 50.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -137.34 29.11 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.471 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.2 OUTLIER -39.38 -54.93 3.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.958 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.5 Cg_endo -74.94 144.65 30.74 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.793 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.471 ' C ' ' CG ' ' A' ' 65' ' ' MET . 0.5 OUTLIER -102.11 85.02 2.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.471 ' CG ' ' C ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER 165.32 -29.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 111.007 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.8 m -96.53 165.19 12.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.959 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.45 -147.13 0.7 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.131 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.7 ' HD2' HD23 ' A' ' 59' ' ' LEU . 12.4 m-30 -108.09 144.87 34.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 0.765 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.1 ttt -116.25 131.88 56.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -86.73 126.1 34.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -101.01 -64.31 1.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -149.88 175.21 29.1 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -138.39 138.6 38.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 0.753 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.603 HD11 HD12 ' A' ' 104' ' ' ILE . 4.1 mt -113.04 121.76 37.45 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 125.65 9.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.742 HD13 ' SD ' ' A' ' 79' ' ' MET . 10.4 mm -51.63 -26.35 6.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.09 -72.65 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -71.44 -3.66 54.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.435 1.084 . . . . 0.0 110.964 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.742 ' SD ' HD13 ' A' ' 76' ' ' ILE . 32.5 ttm -67.72 146.62 53.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.4 t -135.78 108.77 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.637 HG21 HD22 ' A' ' 121' ' ' LEU . 3.8 t -110.77 140.2 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.486 ' O ' HD12 ' A' ' 84' ' ' LEU . 55.7 m-20 -174.04 165.99 4.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.29 11.52 11.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.744 HD11 ' HG2' ' A' ' 95' ' ' GLU . 6.4 mp . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 27.8 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.1 ptt? -148.87 -170.07 3.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -148.25 157.86 43.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.744 ' HG2' HD11 ' A' ' 84' ' ' LEU . 6.4 pt-20 -120.88 139.9 52.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 53.0 mt -107.91 117.55 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.621 HG22 ' HA ' ' A' ' 103' ' ' ARG . 46.6 p -126.11 -175.61 3.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.422 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 133.7 69.25 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.46 -173.46 0.43 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.573 0.808 . . . . 0.0 110.004 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.498 HG23 ' N ' ' A' ' 101' ' ' VAL . 2.4 t -40.31 -55.59 2.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.412 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.498 ' N ' HG23 ' A' ' 100' ' ' THR . 4.5 p -177.55 68.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -130.55 146.05 52.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.621 ' HA ' HG22 ' A' ' 97' ' ' THR . 14.8 ttm105 -133.47 143.76 49.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.69 HG23 ' HG3' ' A' ' 36' ' ' MET . 2.8 mt -119.03 108.72 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 37.6 t -89.47 98.18 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.1 t -87.48 117.86 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.252 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -74.71 132.22 41.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.559 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 32.1 p -51.72 127.84 21.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 108.27 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -61.45 -61.15 2.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -154.74 -65.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -174.18 -65.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -56.09 -62.33 1.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.05 -59.17 4.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -44.11 -53.57 6.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -48.42 -59.36 3.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.12 -53.59 3.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.673 ' HE3' HD11 ' A' ' 121' ' ' LEU . 60.1 m95 -54.29 -51.05 65.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 108.037 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 99.6 mmm -64.68 -17.81 64.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 111.018 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -79.7 -59.06 2.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.517 ' O ' ' N ' ' A' ' 123' ' ' ARG . 7.0 pt20 -61.05 -56.99 14.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.673 HD11 ' HE3' ' A' ' 117' ' ' TRP . 5.5 mt -49.19 -23.8 1.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.5 OUTLIER -69.49 -29.4 67.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 120' ' ' GLN . 3.9 ptp180 -104.72 -36.34 7.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.347 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.865 HD12 HD21 ' A' ' 51' ' ' LEU . 25.1 mt -58.86 -70.93 0.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 126' ' ' LYS . 23.7 p -67.66 -61.33 1.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.443 ' N ' ' OG1' ' A' ' 125' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -60.51 157.27 37.4 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.34 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.32 13.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.48 1.779 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.717 HD13 HD21 ' A' ' 59' ' ' LEU . 8.2 mt -80.57 156.14 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.52 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 5.4 tt0 -94.39 134.54 36.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 72.22 25.98 2.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.592 ' CZ2' HD12 ' A' ' 22' ' ' ILE . 71.5 t-105 -89.42 98.14 11.59 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -122.86 161.0 24.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.081 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.08 -68.02 0.31 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.102 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -165.81 -174.07 2.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.698 ' HB3' HG23 ' A' ' 24' ' ' THR . 0.2 OUTLIER -69.53 160.94 30.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.592 HD12 ' CZ2' ' A' ' 17' ' ' TRP . 9.9 tt -93.76 -34.36 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.231 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -59.12 -18.84 39.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.698 HG23 ' HB3' ' A' ' 21' ' ' ASP . 48.3 p -72.98 -30.55 63.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.404 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.7 mt -69.37 -63.12 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 162.37 -137.72 4.99 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.98 160.27 23.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.844 HG22 ' HE1' ' A' ' 52' ' ' PHE . 88.0 t -80.16 102.1 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.533 HG22 ' N ' ' A' ' 30' ' ' PHE . 1.4 mp -59.66 -77.45 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.571 ' CD1' ' NE1' ' A' ' 117' ' ' TRP . 1.0 OUTLIER -119.86 122.29 40.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.608 ' HE3' HD22 ' A' ' 50' ' ' LEU . 33.5 ttm -124.17 121.37 34.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.1 p -156.91 145.8 20.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.004 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -72.56 108.07 5.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.464 ' CG2' HG13 ' A' ' 106' ' ' VAL . 9.6 m -105.22 179.15 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.595 HG22 ' HG3' ' A' ' 46' ' ' GLU . 2.3 t -124.97 112.96 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.509 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.9 tmm? -137.72 124.0 20.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.434 ' NE2' ' H ' ' A' ' 38' ' ' HIS . 2.0 tm0? -120.19 169.32 10.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.434 ' H ' ' NE2' ' A' ' 37' ' ' GLN . 31.0 m-70 -75.53 -76.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.596 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -141.96 -74.06 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -130.05 126.32 37.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -160.09 -168.15 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 108.271 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -44.21 -91.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -133.93 -169.6 2.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -42.68 141.34 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 36' ' ' MET . 3.3 tp10 -105.74 95.96 6.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.595 ' HG3' HG22 ' A' ' 35' ' ' VAL . 18.3 mt-10 -75.63 147.19 39.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.412 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 0.0 OUTLIER -162.5 175.95 10.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.402 ' O ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -118.36 129.71 55.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.842 ' C ' HD23 ' A' ' 50' ' ' LEU . 3.1 m-30 -117.22 124.28 48.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.874 HD11 HD22 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -110.59 110.44 21.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.652 HD22 ' CZ3' ' A' ' 117' ' ' TRP . 7.2 tp -87.88 112.53 22.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.844 ' HE1' HG22 ' A' ' 28' ' ' VAL . 9.0 m-30 -100.2 8.34 43.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.777 ' HA ' HD13 ' A' ' 124' ' ' LEU . 9.3 t 65.45 41.11 4.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 178.38 -31.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.747 HG21 ' HD3' ' A' ' 73' ' ' LYS . 5.1 p -148.07 142.18 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.755 HD13 ' O ' ' A' ' 56' ' ' LEU . 1.8 tm? -100.02 100.24 11.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.629 HG13 ' CE2' ' A' ' 52' ' ' PHE . 5.1 mm -84.19 132.06 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.765 ' O ' HD12 ' A' ' 59' ' ' LEU . 2.3 mpp? -109.12 133.12 53.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.874 HD22 HD11 ' A' ' 50' ' ' LEU . 6.0 mp -128.65 161.83 28.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 47' ' ' ARG . 34.2 t -149.61 153.5 37.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.954 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -126.26 73.97 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.467 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -67.02 -53.47 25.55 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.017 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 62' ' ' SER . 18.4 Cg_endo -75.03 -174.59 2.0 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.483 1.78 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.58 151.17 47.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.338 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 ptm -37.74 108.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.7 t 179.29 88.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.13 -175.17 24.9 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.555 ' CB ' HD23 ' A' ' 59' ' ' LEU . 12.9 m-85 -130.86 158.7 39.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.402 ' O ' ' HA ' ' A' ' 59' ' ' LEU . 8.9 ttt -112.21 133.52 54.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.421 ' CD1' ' CZ3' ' A' ' 17' ' ' TRP . 53.7 t80 -93.82 131.58 39.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -104.05 -66.56 0.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -144.27 -170.2 13.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.747 ' HD3' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -150.59 137.73 19.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 0.787 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.552 HD11 ' CD1' ' A' ' 104' ' ' ILE . 3.7 mt -111.6 121.07 40.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 124.19 8.4 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.514 1.797 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.82 HD13 ' SD ' ' A' ' 79' ' ' MET . 25.9 mm -56.2 -22.82 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.86 -65.27 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -85.35 14.38 50.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.559 1.162 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.82 ' SD ' HD13 ' A' ' 76' ' ' ILE . 9.7 ttm -78.09 145.3 35.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 0.741 . . . . 0.0 111.013 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 97' ' ' THR . 41.1 t -126.75 107.5 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.631 HG21 HD22 ' A' ' 121' ' ' LEU . 6.0 t -108.32 148.71 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 15.2 p30 170.67 139.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.62 55.18 1.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.495 HD21 ' HB3' ' A' ' 95' ' ' GLU . 4.0 mm? . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 114' ' ' PHE . 26.9 p . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.8 ptt? -146.2 159.06 43.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.649 ' HE2' HD11 ' A' ' 96' ' ' ILE . 33.1 p90 -137.49 170.11 16.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.495 ' HB3' HD21 ' A' ' 84' ' ' LEU . 12.9 pt-20 -120.18 139.55 52.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.649 HD11 ' HE2' ' A' ' 94' ' ' PHE . 76.3 mt -113.6 100.21 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.693 HG22 ' HA ' ' A' ' 103' ' ' ARG . 0.7 OUTLIER -130.67 -174.22 3.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.398 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 99' ' ' SER . . . -129.83 -62.17 0.1 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 98' ' ' GLY . 2.9 p 160.98 48.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.61 ' O ' HG23 ' A' ' 101' ' ' VAL . 22.4 m -158.13 -92.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.769 ' O ' HG12 ' A' ' 101' ' ' VAL . 41.9 t -157.91 57.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 109.353 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -129.69 20.48 5.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.277 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.693 ' HA ' HG22 ' A' ' 97' ' ' THR . 41.0 ttm180 -49.9 131.5 22.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.552 ' CD1' HD11 ' A' ' 74' ' ' ILE . 2.6 mt -126.67 108.2 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.7 t -93.34 100.22 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.464 HG13 ' CG2' ' A' ' 34' ' ' VAL . 8.9 t -86.22 126.82 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -85.24 164.12 18.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.621 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 86.1 m -152.33 146.25 25.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 108.295 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -104.58 -52.29 2.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -99.54 -176.46 3.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -114.1 21.15 15.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -97.63 -69.21 0.77 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -53.63 -48.78 69.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.577 ' CE1' ' HG3' ' A' ' 118' ' ' MET . 11.4 t80 -53.1 -53.18 54.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.088 . . . . 0.0 111.005 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.6 -61.41 1.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.331 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.415 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -47.75 -59.38 3.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.659 ' O ' HD12 ' A' ' 121' ' ' LEU . 40.0 m95 -46.14 -49.58 16.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 108.022 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.577 ' HG3' ' CE1' ' A' ' 114' ' ' PHE . 98.9 mmm -61.68 -33.45 74.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.69 -64.17 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.532 ' OE1' HD23 ' A' ' 51' ' ' LEU . 1.5 pt20 -55.94 -58.9 5.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.659 HD12 ' O ' ' A' ' 117' ' ' TRP . 8.1 mt -41.64 -29.34 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.405 ' N ' ' C ' ' A' ' 120' ' ' GLN . 0.4 OUTLIER -74.33 -50.2 19.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 120' ' ' GLN . 13.6 ptt180 -73.44 -22.46 60.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.777 HD13 ' HA ' ' A' ' 53' ' ' SER . 12.2 mt -74.22 -76.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 62.0 p -48.47 -51.6 26.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.369 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 123' ' ' ARG . 1.2 mttm . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -120.94 158.68 51.74 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 159.28 41.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.965 ' CD1' HD21 ' A' ' 59' ' ' LEU . 4.4 mt -85.88 159.14 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.451 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 7.9 tt0 -94.93 131.29 41.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 69.1 39.71 1.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.563 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 75.9 t-105 -82.18 -40.98 20.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 108.008 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 72.85 165.67 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 20' ' ' ASP . . . -48.7 125.15 13.49 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 0.5 OUTLIER 161.84 154.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 0.787 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.928 ' O ' HG22 ' A' ' 24' ' ' THR . 3.2 m-20 -98.9 107.46 19.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.563 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 9.2 tt -71.06 -12.51 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.54 ' HE3' HG23 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -92.61 -7.36 47.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.928 HG22 ' O ' ' A' ' 21' ' ' ASP . 4.9 t -86.29 -25.03 25.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 110.352 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.559 HD22 ' CG1' ' A' ' 55' ' ' VAL . 93.3 mt -72.87 -93.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 178.86 171.98 42.69 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.459 1.099 . . . . 0.0 111.04 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -66.94 167.29 11.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 0.744 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.457 HG22 ' CE1' ' A' ' 52' ' ' PHE . 79.3 t -83.76 99.6 6.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.761 HD11 ' CB ' ' A' ' 53' ' ' SER . 70.7 mt -54.95 -78.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.64 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -135.11 123.39 23.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.428 ' HG3' ' O ' ' A' ' 31' ' ' MET . 0.0 OUTLIER -122.79 148.21 45.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -163.91 172.21 14.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.036 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -94.79 105.51 17.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.513 HG21 HG13 ' A' ' 106' ' ' VAL . 20.3 m -111.87 176.35 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.528 HG13 ' H ' ' A' ' 45' ' ' GLU . 2.3 t -125.19 112.26 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.733 ' HG3' HG23 ' A' ' 104' ' ' ILE . 2.8 tmm? -130.84 125.39 33.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.454 ' HB3' ' CG ' ' A' ' 45' ' ' GLU . 9.1 pt20 -129.09 173.09 10.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -81.39 -62.58 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.598 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -160.55 -70.85 0.02 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.523 1.139 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -143.65 112.18 6.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -130.24 -74.34 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 108.315 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.42 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 1.1 mm-40 -139.63 -80.14 0.3 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 3.9 mm-40 -137.34 -168.79 2.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.257 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -43.78 148.63 0.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.528 ' H ' HG13 ' A' ' 35' ' ' VAL . 66.2 mm-40 -117.55 83.07 1.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.504 ' CD ' ' CG2' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -70.34 129.73 40.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -143.51 153.79 42.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.241 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -103.72 107.69 18.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.633 ' CE1' HD11 ' A' ' 56' ' ' LEU . 2.4 m-30 -94.94 125.41 39.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.995 HD11 HD22 ' A' ' 59' ' ' LEU . 1.8 mt -117.75 113.64 22.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.601 HD22 ' CZ3' ' A' ' 117' ' ' TRP . 5.5 tp -84.89 102.6 13.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.585 ' CE2' HG13 ' A' ' 57' ' ' ILE . 4.8 m-30 -84.51 2.86 39.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.761 ' CB ' HD11 ' A' ' 29' ' ' ILE . 1.1 p 74.32 43.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.05 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.4 t 173.81 -30.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.559 ' CG1' HD22 ' A' ' 25' ' ' LEU . 2.6 p -148.24 142.35 19.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.778 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.2 tm? -91.37 95.45 10.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.585 HG13 ' CE2' ' A' ' 52' ' ' PHE . 37.7 mm -76.51 131.13 35.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.68 ' O ' HD12 ' A' ' 59' ' ' LEU . 11.4 mtm -114.09 125.81 54.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.995 HD22 HD11 ' A' ' 50' ' ' LEU . 5.1 mp -121.71 159.05 27.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 p -152.2 135.07 15.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -96.09 98.93 10.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.35 163.51 26.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 67.34 5.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -128.86 -59.7 1.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.1 ttp -174.35 150.02 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.8 t -39.16 147.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 118.76 -176.97 16.29 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.12 . . . . 0.0 111.024 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.769 ' CD2' HD23 ' A' ' 59' ' ' LEU . 21.0 m-30 -117.28 151.61 36.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 111.014 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 16.0 ttt -118.34 116.91 27.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.468 ' OH ' ' CG ' ' A' ' 73' ' ' LYS . 11.7 t80 -68.87 134.61 49.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -134.53 78.65 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 74.11 166.67 14.68 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.468 ' CG ' ' OH ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -144.05 141.83 30.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 109.289 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.64 HD11 ' CD1' ' A' ' 104' ' ' ILE . 2.8 mt -113.68 121.58 36.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 129.12 12.03 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.498 1.788 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.852 HD13 ' SD ' ' A' ' 79' ' ' MET . 21.7 mm -58.64 -18.07 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.43 -68.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -78.25 3.52 62.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.454 1.096 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.852 ' SD ' HD13 ' A' ' 76' ' ' ILE . 21.7 ttm -73.44 134.55 43.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 0.737 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.1 t -122.94 106.68 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.804 HG21 HD22 ' A' ' 121' ' ' LEU . 5.0 t -101.84 153.98 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 54.4 p30 175.33 160.78 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -90.77 25.69 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' A' ' 94' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.423 ' O ' ' CE1' ' A' ' 114' ' ' PHE . 98.4 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -137.98 179.82 6.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.679 ' HA ' HD12 ' A' ' 84' ' ' LEU . 3.5 p90 -155.5 168.18 27.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.985 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.579 ' HG3' HG23 ' A' ' 97' ' ' THR . 4.2 pt-20 -118.98 142.47 47.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.616 HD11 ' HE2' ' A' ' 94' ' ' PHE . 4.0 mt -119.27 91.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.601 HG22 ' HA ' ' A' ' 103' ' ' ARG . 73.1 p -96.25 -175.9 3.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.371 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 154.18 -21.85 0.66 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.427 ' O ' ' HB ' ' A' ' 100' ' ' THR . 0.1 OUTLIER -71.47 -67.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 110.009 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.556 ' O ' HG23 ' A' ' 101' ' ' VAL . 0.1 OUTLIER 175.15 -34.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.433 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.579 ' O ' ' C ' ' A' ' 102' ' ' GLU . 54.7 t -157.32 -42.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.579 ' C ' ' O ' ' A' ' 101' ' ' VAL . 25.1 tt0 -22.69 -66.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.34 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.601 ' HA ' HG22 ' A' ' 97' ' ' THR . 11.7 ttm180 66.13 140.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.733 HG23 ' HG3' ' A' ' 36' ' ' MET . 6.5 mt -116.39 127.44 74.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.5 t -104.98 97.21 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.513 HG13 HG21 ' A' ' 34' ' ' VAL . 22.0 t -83.4 118.61 31.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -90.24 121.41 32.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.597 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 19.2 m -113.94 173.59 6.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.276 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -146.07 -48.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.253 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.47 174.98 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -117.42 -55.39 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -61.66 2.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.06 -59.64 4.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.423 ' CE1' ' O ' ' A' ' 92' ' ' CYS . 65.2 t80 -41.74 -55.81 2.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -45.68 -61.36 1.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.261 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.553 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -38.39 -59.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 110.273 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.64 ' CZ2' ' O ' ' A' ' 30' ' ' PHE . 38.8 m95 -42.52 -51.33 5.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 107.974 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.41 ' SD ' ' CZ ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -59.25 -42.23 90.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -68.95 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.428 ' O ' ' HG ' ' A' ' 124' ' ' LEU . 0.6 OUTLIER -48.18 -59.34 3.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 110.28 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.804 HD22 HG21 ' A' ' 81' ' ' VAL . 12.1 mt -44.78 -55.08 5.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 121' ' ' LEU . 0.3 OUTLIER -39.06 -32.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.507 ' HG2' HD23 ' A' ' 124' ' ' LEU . 9.9 ttm105 -92.34 -59.78 2.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.345 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.706 HD13 ' HA ' ' A' ' 53' ' ' SER . 6.7 mt -45.73 -54.77 7.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.579 HG21 ' CG2' ' A' ' 81' ' ' VAL . 11.0 p -88.78 38.29 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.429 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -76.46 152.93 83.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 140.8 25.8 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 111.008 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.594 HD13 HD21 ' A' ' 59' ' ' LEU . 6.4 mt -83.97 137.44 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.421 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 4.6 tt0 -75.16 138.66 42.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 67.88 20.59 9.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.527 ' CZ2' HD12 ' A' ' 22' ' ' ILE . 73.6 t-105 -84.11 93.89 8.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 108.017 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.32 149.34 40.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.59 -65.77 0.59 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -177.7 -167.08 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 0.739 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.552 ' CB ' HG23 ' A' ' 24' ' ' THR . 1.1 m-20 -68.58 154.09 42.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.527 HD12 ' CZ2' ' A' ' 17' ' ' TRP . 9.5 tt -83.98 -27.68 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.51 -19.82 65.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.552 HG23 ' CB ' ' A' ' 21' ' ' ASP . 19.3 p -70.08 -25.67 63.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.414 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 70.1 mt -80.67 -71.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.83 -139.44 5.79 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.458 1.099 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.53 -167.79 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.806 HG22 ' CE1' ' A' ' 52' ' ' PHE . 78.0 t -113.54 104.2 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.58 HD11 ' HB3' ' A' ' 53' ' ' SER . 25.8 mt -55.91 -76.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.6 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -132.05 124.78 29.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.9 ptm -122.25 135.47 54.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.0 p -161.36 160.41 29.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.949 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -82.47 107.14 14.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.58 ' HB ' HG13 ' A' ' 106' ' ' VAL . 27.5 m -105.52 174.47 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.507 ' CG2' ' CD ' ' A' ' 46' ' ' GLU . 1.4 t -126.66 106.66 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.441 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 1.7 tmm? -127.62 121.64 31.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.449 ' CG ' ' HG3' ' A' ' 45' ' ' GLU . 21.3 tm0? -128.79 149.23 50.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.599 ' CG ' ' N ' ' A' ' 39' ' ' GLY . 0.8 OUTLIER -46.93 -88.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.64 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.599 ' N ' ' CG ' ' A' ' 38' ' ' HIS . . . -167.17 90.83 0.1 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 39' ' ' GLY . . . 76.58 120.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.404 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -170.18 -153.67 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 108.319 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -53.94 -82.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -142.32 -174.57 4.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -44.45 159.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.449 ' HG3' ' CG ' ' A' ' 37' ' ' GLN . 17.4 mt-10 -121.8 80.99 1.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.507 ' CD ' ' CG2' ' A' ' 35' ' ' VAL . 0.6 OUTLIER -66.91 130.08 41.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.9 mtm-85 -149.29 178.26 8.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -121.15 129.01 53.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.565 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 2.3 m-30 -116.55 114.07 23.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.682 HD11 HD22 ' A' ' 59' ' ' LEU . 1.2 mt -103.58 111.27 23.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.699 HD11 HD11 ' A' ' 76' ' ' ILE . 8.5 tp -88.82 111.95 22.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.806 ' CE1' HG22 ' A' ' 28' ' ' VAL . 8.0 m-30 -94.4 3.71 54.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.764 ' HA ' HD13 ' A' ' 124' ' ' LEU . 1.0 OUTLIER 75.0 37.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.043 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.69 -30.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 110.031 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.7 p -142.83 148.32 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.818 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.0 tm? -104.72 93.96 5.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.614 HG13 ' CE2' ' A' ' 52' ' ' PHE . 8.6 mm -77.04 126.07 37.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.664 ' O ' HD12 ' A' ' 59' ' ' LEU . 27.4 mtm -109.97 131.93 54.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.682 HD22 HD11 ' A' ' 50' ' ' LEU . 3.9 mp -123.61 160.77 26.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.6 m -137.59 130.97 30.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.07 -172.12 2.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.471 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.1 OUTLIER 172.92 -54.61 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.988 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.2 Cg_endo -74.95 -178.48 4.18 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.86 74.86 1.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 169.72 -35.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.09 -178.62 5.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.997 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.92 -125.91 3.3 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.574 1.171 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -131.69 155.36 47.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.783 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.413 ' O ' ' HA ' ' A' ' 59' ' ' LEU . 10.8 ttt -115.64 129.04 56.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -87.18 142.7 27.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 111.068 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -115.53 -72.09 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -138.76 179.32 18.62 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.0 pttt -145.72 134.52 22.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.669 HD11 HD12 ' A' ' 104' ' ' ILE . 9.4 mt -115.4 123.94 30.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 127.04 10.38 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.456 1.767 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.699 HD11 HD11 ' A' ' 51' ' ' LEU . 22.1 mm -46.03 -28.53 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.28 -72.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.37 -18.32 55.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.548 1.155 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.696 ' SD ' HD13 ' A' ' 76' ' ' ILE . 12.8 ttm -57.61 137.86 55.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 0.774 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.3 t -132.36 114.81 24.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.475 HG21 HD22 ' A' ' 121' ' ' LEU . 2.6 t -114.21 146.76 18.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.56 ' O ' ' C ' ' A' ' 83' ' ' ARG . 45.1 m-20 -170.59 39.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.56 ' C ' ' O ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER 25.15 49.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.516 ' CD2' ' C ' ' A' ' 94' ' ' PHE . 1.3 mm? . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 171.44 158.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.516 ' C ' ' CD2' ' A' ' 84' ' ' LEU . 16.2 p90 -148.6 168.97 21.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.573 ' HG3' HG23 ' A' ' 97' ' ' THR . 4.4 pt-20 -125.69 154.14 42.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.526 HG23 ' HG3' ' A' ' 79' ' ' MET . 60.0 mt -125.65 91.11 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.573 HG23 ' HG3' ' A' ' 95' ' ' GLU . 62.3 p -99.22 -178.2 3.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.399 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -158.83 -76.36 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.0 t -144.36 31.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 109.997 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.1 p -136.27 -172.43 3.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 102' ' ' GLU . 10.6 m -115.29 -29.3 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 101' ' ' VAL . 0.1 OUTLIER -38.48 -46.35 1.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.438 ' HA ' HG22 ' A' ' 97' ' ' THR . 17.8 ttm105 61.53 135.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.669 HD12 HD11 ' A' ' 74' ' ' ILE . 4.2 mt -99.39 107.9 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.5 t -94.54 98.25 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.58 HG13 ' HB ' ' A' ' 34' ' ' VAL . 14.4 t -85.17 110.35 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -71.3 126.25 29.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.602 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 30.7 p -50.4 158.95 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 108.303 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.422 ' O ' ' ND2' ' A' ' 110' ' ' ASN . 44.7 t-20 -130.35 -45.96 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 1.6 m-80 -154.35 141.36 19.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 112' ' ' GLN . 0.6 OUTLIER -48.77 -71.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.44 ' NE2' ' OD1' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -36.43 -68.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.453 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -48.22 -64.08 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -40.27 -63.44 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -40.49 -53.7 2.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.443 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -49.05 -60.58 2.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.695 ' O ' HD12 ' A' ' 121' ' ' LEU . 44.3 m95 -43.84 -52.1 6.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 108.036 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.471 ' CE ' ' HB3' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -59.54 -43.74 93.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 110.979 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -68.25 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.501 ' OE1' ' CG2' ' A' ' 29' ' ' ILE . 9.0 pt20 -51.82 -56.93 10.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.695 HD12 ' O ' ' A' ' 117' ' ' TRP . 8.6 mt -45.29 -53.52 8.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -41.0 -29.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.44 ' CZ ' ' HB2' ' A' ' 123' ' ' ARG . 11.9 ttm105 -96.64 -59.37 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.764 HD13 ' HA ' ' A' ' 53' ' ' SER . 9.3 mt -42.67 -56.73 3.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 60.6 p -67.77 -42.94 80.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -77.11 157.56 81.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 125.62 9.48 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.886 ' CD1' HD21 ' A' ' 59' ' ' LEU . 4.3 mt -71.25 124.01 26.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.722 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 4.1 tt0 -57.75 138.38 55.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.722 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 86.5 -39.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.581 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 31.8 t-105 -40.2 111.87 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 20' ' ' ASP . 29.8 mt-10 -70.76 164.69 24.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.258 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -50.87 93.05 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.128 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.0 t0 -165.17 169.11 16.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.845 ' O ' HG22 ' A' ' 24' ' ' THR . 51.4 m-20 -103.5 124.55 48.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.72 HG22 ' HD2' ' A' ' 23' ' ' LYS . 11.9 tt -84.16 -16.65 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.176 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.72 ' HD2' HG22 ' A' ' 22' ' ' ILE . 0.9 OUTLIER -91.51 -2.73 57.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.845 HG22 ' O ' ' A' ' 21' ' ' ASP . 5.1 t -89.47 -19.4 25.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 110.4 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 81.6 mt -70.68 -76.62 0.1 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.32 -118.46 0.48 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -150.22 134.81 17.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.789 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.791 HG22 ' HE1' ' A' ' 52' ' ' PHE . 64.9 t -60.29 92.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.253 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.718 HG22 ' N ' ' A' ' 30' ' ' PHE . 8.9 mt -55.08 -79.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.718 ' N ' HG22 ' A' ' 29' ' ' ILE . 14.2 t80 -131.39 126.25 34.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.4 ptm -126.22 142.86 51.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.8 t -161.06 160.93 31.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.986 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -76.85 106.25 8.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.432 ' HB ' HG13 ' A' ' 106' ' ' VAL . 22.8 m -108.27 173.1 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.504 ' CG2' ' CD ' ' A' ' 46' ' ' GLU . 2.1 t -124.54 110.81 26.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.5 ' HE2' ' CZ ' ' A' ' 49' ' ' PHE . 2.4 tmm? -132.22 125.95 32.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.88 163.38 13.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -80.37 -76.3 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.608 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.66 97.24 0.11 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 52.59 97.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.323 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.48 -75.34 0.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 108.265 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.407 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -143.47 -81.92 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.407 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 5.2 mm-40 -137.5 -168.89 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -43.5 148.55 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.172 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 36' ' ' MET . 42.9 mm-40 -121.82 88.12 2.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.504 ' CD ' ' CG2' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -69.62 138.43 53.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -157.62 172.13 19.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -115.58 131.52 56.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.675 ' C ' HD23 ' A' ' 50' ' ' LEU . 2.0 m-30 -118.82 123.5 44.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.815 HD11 HD22 ' A' ' 59' ' ' LEU . 0.5 OUTLIER -112.12 118.94 36.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.882 HD11 HD11 ' A' ' 76' ' ' ILE . 8.8 tp -95.36 115.95 28.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.791 ' HE1' HG22 ' A' ' 28' ' ' VAL . 8.1 m-30 -96.16 4.52 52.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.54 ' CB ' HD11 ' A' ' 29' ' ' ILE . 0.9 OUTLIER 76.27 33.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.38 -32.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.8 p -138.74 144.38 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.763 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.4 tm? -100.32 94.1 6.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.593 HG13 ' CE2' ' A' ' 52' ' ' PHE . 14.8 mm -76.12 133.42 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.582 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 30.8 mtm -118.24 130.69 56.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.886 HD21 ' CD1' ' A' ' 14' ' ' ILE . 2.8 mp -118.63 161.11 20.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.47 118.85 8.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.95 112.26 13.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.16 171.44 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.012 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 50.9 2.62 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.452 1.764 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 65' ' ' MET . 0.0 OUTLIER 173.04 37.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.427 ' HG3' ' N ' ' A' ' 66' ' ' SER . 13.7 ptm 37.13 -157.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.427 ' N ' ' HG3' ' A' ' 65' ' ' MET . 0.6 OUTLIER 64.64 114.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.965 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 58.15 153.85 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.13 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -111.0 163.17 14.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.408 ' O ' ' HA ' ' A' ' 59' ' ' LEU . 10.4 ttt -119.77 128.77 54.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.444 ' CD1' ' CE3' ' A' ' 17' ' ' TRP . 28.3 t80 -87.49 119.7 28.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -86.99 -69.61 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.241 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -148.62 -179.54 24.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -134.49 139.17 45.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.746 . . . . 0.0 109.264 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.684 HD11 HD12 ' A' ' 104' ' ' ILE . 8.5 mt -119.89 122.98 28.71 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 129.44 12.39 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.489 1.784 . . . . 0.0 111.032 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.882 HD11 HD11 ' A' ' 51' ' ' LEU . 28.9 mm -56.52 -22.9 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.85 -75.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.87 -15.48 62.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.567 1.167 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.706 ' SD ' HD13 ' A' ' 76' ' ' ILE . 6.4 ttm -54.37 135.36 45.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 0.765 . . . . 0.0 110.958 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.0 t -123.51 108.17 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.588 HG21 HD22 ' A' ' 121' ' ' LEU . 3.7 t -115.48 144.18 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.4 p30 178.11 133.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 84' ' ' LEU . 1.7 ttt180 -40.85 99.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.658 HD11 ' HB3' ' A' ' 95' ' ' GLU . 11.7 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.517 ' O ' ' CZ ' ' A' ' 114' ' ' PHE . 27.0 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.609 ' CE ' HD13 ' A' ' 84' ' ' LEU . 8.6 ptt? -110.48 -172.43 2.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.428 ' CD2' ' SD ' ' A' ' 118' ' ' MET . 21.8 p90 -156.81 158.27 36.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.658 ' HB3' HD11 ' A' ' 84' ' ' LEU . 22.6 pt-20 -113.13 168.4 9.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.0 mt -131.61 91.69 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.965 HG22 ' HA ' ' A' ' 103' ' ' ARG . 70.6 p -106.03 179.71 4.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.385 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.2 -77.09 0.21 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 83.0 p -178.17 37.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 109.967 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.638 HG22 ' N ' ' A' ' 101' ' ' VAL . 8.5 m -159.96 -105.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.784 ' O ' HG12 ' A' ' 101' ' ' VAL . 30.8 t -140.06 56.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.584 ' CG ' ' O ' ' A' ' 102' ' ' GLU . 9.3 tt0 -118.63 14.43 13.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.965 ' HA ' HG22 ' A' ' 97' ' ' THR . 42.7 ttm180 -41.56 130.9 3.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.684 HD12 HD11 ' A' ' 74' ' ' ILE . 1.8 mt -128.99 109.61 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 25.0 t -89.06 99.27 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.432 HG13 ' HB ' ' A' ' 34' ' ' VAL . 24.0 t -87.71 114.94 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.152 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -91.82 165.27 13.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.547 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 175.61 151.58 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 108.276 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -109.08 -51.58 2.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.335 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -46.58 169.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -118.11 -50.15 2.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.86 -60.42 2.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.68 -61.09 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.577 ' CZ ' ' HG3' ' A' ' 118' ' ' MET . 34.5 t80 -44.71 -52.13 8.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -43.0 -66.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.5 OUTLIER -38.25 -61.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.619 ' HE3' HD11 ' A' ' 121' ' ' LEU . 60.6 m95 -44.17 -53.14 6.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 108.013 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.577 ' HG3' ' CZ ' ' A' ' 114' ' ' PHE . 94.3 mmm -64.97 -28.04 69.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.127 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -71.57 -55.25 8.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.334 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 123' ' ' ARG . 8.2 pt20 -64.86 -58.67 5.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.619 HD11 ' HE3' ' A' ' 117' ' ' TRP . 9.2 mt -46.87 -25.29 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.3 OUTLIER -68.15 -41.84 80.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.472 ' HG3' ' N ' ' A' ' 124' ' ' LEU . 4.5 ptm180 -91.77 -37.9 12.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.814 HD12 HD21 ' A' ' 51' ' ' LEU . 28.5 mt -55.23 -70.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 125' ' ' THR . 19.2 p -62.98 -46.35 88.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.378 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.8 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -41.76 155.43 0.23 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 155.47 43.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.525 1.802 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 1.017 HD13 HD21 ' A' ' 59' ' ' LEU . 7.3 mt -74.0 131.69 34.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 17' ' ' TRP . 5.4 tt0 -58.46 146.43 35.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 110.333 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.535 ' O ' ' C ' ' A' ' 17' ' ' TRP . . . 68.4 -67.19 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.754 ' CZ2' HD12 ' A' ' 22' ' ' ILE . 26.1 t-105 31.9 84.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' ASP . 3.4 mt-10 -38.25 146.68 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.56 95.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 18' ' ' GLU . 0.7 OUTLIER 177.97 151.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.417 ' HB2' ' CG2' ' A' ' 24' ' ' THR . 90.2 m-20 -91.0 145.56 24.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.754 HD12 ' CZ2' ' A' ' 17' ' ' TRP . 2.8 tt -95.35 -18.06 6.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -84.41 -10.28 57.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.417 ' CG2' ' HB2' ' A' ' 21' ' ' ASP . 10.7 p -86.27 -27.08 24.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.43 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.409 HD22 HG11 ' A' ' 55' ' ' VAL . 41.8 mt -75.52 -89.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.14 165.98 30.08 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -53.71 173.69 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.76 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.779 HG22 ' CE1' ' A' ' 52' ' ' PHE . 86.7 t -97.41 103.37 14.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.646 HD11 ' CB ' ' A' ' 53' ' ' SER . 18.9 mt -43.37 -77.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 109.343 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.612 ' N ' HG22 ' A' ' 29' ' ' ILE . 87.9 t80 -144.01 121.39 11.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.6 149.05 38.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.2 m -161.52 151.89 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.981 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -72.1 103.73 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.241 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.44 ' HB ' HG13 ' A' ' 106' ' ' VAL . 11.7 m -105.86 178.2 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.505 ' CG2' ' CD ' ' A' ' 46' ' ' GLU . 1.4 t -132.35 115.33 25.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.112 . . . . 0.0 109.242 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.445 ' HE2' ' CZ ' ' A' ' 49' ' ' PHE . 1.4 tmm? -134.53 117.14 15.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -124.78 -173.97 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.557 ' CD2' ' HB2' ' A' ' 41' ' ' CYS . 0.9 OUTLIER -112.63 -163.03 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.572 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 38' ' ' HIS . . . -37.58 -71.58 0.2 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.442 1.089 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -140.87 99.41 3.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.775 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.557 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . 0.5 OUTLIER -115.38 51.99 0.9 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 108.291 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 65.5 -75.96 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 41' ' ' CYS . 11.3 mt-10 -139.53 177.25 8.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.415 ' HB2' HG11 ' A' ' 35' ' ' VAL . 3.9 pttt -40.85 154.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 36' ' ' MET . 27.2 mm-40 -118.69 86.36 2.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.505 ' CD ' ' CG2' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -61.76 122.22 14.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.345 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -142.18 176.33 9.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.42 ' HD2' HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -123.69 131.24 53.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.781 ' C ' HD23 ' A' ' 50' ' ' LEU . 2.4 m-30 -116.16 123.42 47.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.781 HD23 ' C ' ' A' ' 49' ' ' PHE . 0.8 OUTLIER -110.22 119.21 38.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.581 HD22 HE21 ' A' ' 120' ' ' GLN . 6.1 tp -95.7 114.94 26.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.779 ' CE1' HG22 ' A' ' 28' ' ' VAL . 9.1 m-30 -98.01 4.43 49.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.646 ' CB ' HD11 ' A' ' 29' ' ' ILE . 1.1 p 73.91 41.29 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.995 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.58 -28.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 110.014 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.409 HG11 HD22 ' A' ' 25' ' ' LEU . 3.3 p -142.09 140.08 29.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.859 HD13 ' O ' ' A' ' 56' ' ' LEU . 1.7 tm? -100.98 94.04 5.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.654 HG13 ' CE2' ' A' ' 52' ' ' PHE . 4.7 mm -79.41 133.39 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.572 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 25.6 mtm -114.49 125.92 54.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 1.017 HD21 HD13 ' A' ' 14' ' ' ILE . 1.0 OUTLIER -115.23 162.41 17.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.0 118.49 9.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.995 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.56 44.97 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.474 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -59.09 -53.18 68.93 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 62' ' ' SER . 18.3 Cg_endo -75.01 106.94 2.37 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.536 1.808 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.42 125.03 22.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.416 ' O ' ' CB ' ' A' ' 66' ' ' SER . 9.1 tpt 59.0 86.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 65' ' ' MET . 3.9 t 165.13 60.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 44.97 -170.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 111.052 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -106.81 145.49 32.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.429 ' O ' ' HA ' ' A' ' 59' ' ' LEU . 26.5 ttt -100.19 149.7 23.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.438 ' HA ' HD12 ' A' ' 59' ' ' LEU . 9.9 t80 -106.71 132.87 52.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -103.99 -69.72 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.172 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -146.35 172.23 26.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.7 pttt -135.28 142.25 45.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.776 HD12 HD12 ' A' ' 56' ' ' LEU . 3.6 mt -113.35 116.47 46.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.416 ' C ' ' N ' ' A' ' 77' ' ' ALA . 18.3 Cg_endo -74.98 122.29 7.12 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.528 HD12 ' HB2' ' A' ' 124' ' ' LEU . 22.5 mm -40.13 -32.13 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 75' ' ' PRO . . . -63.86 127.35 31.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 77.49 -7.68 38.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.504 ' HE3' HG22 ' A' ' 74' ' ' ILE . 44.2 ttm -67.38 136.76 55.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.769 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.9 t -117.67 112.86 40.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.62 HG21 HD22 ' A' ' 121' ' ' LEU . 3.4 t -114.41 134.19 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 42.9 p30 174.7 147.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 93' ' ' MET . 3.7 mtm180 -57.78 148.87 23.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.597 HD21 ' HB3' ' A' ' 95' ' ' GLU . 2.4 mm? . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.505 ' O ' ' CG ' ' A' ' 93' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.505 ' CG ' ' O ' ' A' ' 92' ' ' CYS . 13.9 ptt? 43.12 -167.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.421 ' HE2' HD11 ' A' ' 96' ' ' ILE . 16.7 p90 -141.32 176.89 8.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.597 ' HB3' HD21 ' A' ' 84' ' ' LEU . 6.3 pt-20 -132.95 140.49 47.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.471 HD12 ' HE2' ' A' ' 49' ' ' PHE . 57.8 mt -109.44 99.65 9.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.49 HG22 ' HA ' ' A' ' 103' ' ' ARG . 31.7 p -115.76 -175.4 2.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 173.08 -104.94 0.2 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 54.6 p -96.23 39.89 1.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 0.782 . . . . 0.0 109.965 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.44 174.59 14.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 41.3 t -115.59 -28.3 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -39.02 -44.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.49 ' HA ' HG22 ' A' ' 97' ' ' THR . 15.2 ttm180 64.31 122.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.334 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.775 ' CD1' HD11 ' A' ' 74' ' ' ILE . 2.8 mt -90.35 110.32 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.437 HG13 ' SD ' ' A' ' 93' ' ' MET . 44.2 t -94.55 97.31 6.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.44 HG13 ' HB ' ' A' ' 34' ' ' VAL . 21.8 t -85.89 112.37 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -70.31 162.94 27.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.654 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.1 t -97.04 125.47 41.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 108.301 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.8 14.52 10.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -177.54 158.26 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -91.17 -51.26 5.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -61.35 2.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.24 -51.73 8.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.499 ' CE2' ' HG3' ' A' ' 118' ' ' MET . 93.4 t80 -49.47 -66.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -38.7 -44.42 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.258 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.29 -55.21 37.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.627 ' O ' HD12 ' A' ' 121' ' ' LEU . 53.9 m95 -54.35 -54.1 44.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 107.945 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.499 ' HG3' ' CE2' ' A' ' 114' ' ' PHE . 95.6 mmm -57.21 -20.39 26.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.47 -63.04 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.581 HE21 HD22 ' A' ' 51' ' ' LEU . 7.6 pt20 -50.95 -47.66 61.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.252 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.627 HD12 ' O ' ' A' ' 117' ' ' TRP . 4.9 mt -57.98 -41.25 82.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -27.88 55.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.654 ' HG2' HD23 ' A' ' 124' ' ' LEU . 12.6 ttt-85 -82.89 -55.4 4.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.256 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.679 ' N ' HD23 ' A' ' 124' ' ' LEU . 1.4 mt -52.75 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.438 ' OG1' ' N ' ' A' ' 126' ' ' LYS . 60.9 p -54.58 -70.68 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.415 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.438 ' N ' ' OG1' ' A' ' 125' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -45.28 152.51 0.62 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 110.332 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 168.81 24.01 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.989 ' CD1' HD21 ' A' ' 59' ' ' LEU . 8.1 mt -87.69 109.6 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.699 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -60.07 151.09 27.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 85.56 -37.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.53 ' CH2' HD12 ' A' ' 22' ' ' ILE . 30.3 t-105 -39.53 100.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -62.33 174.83 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 20' ' ' ASP . . . -54.23 110.67 1.64 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 2.6 m-20 156.21 139.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.665 ' HB2' HG23 ' A' ' 24' ' ' THR . 13.6 m-20 -82.71 152.44 25.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.53 HD12 ' CH2' ' A' ' 17' ' ' TRP . 7.1 tt -84.72 -33.37 8.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.36 -26.54 5.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.665 HG23 ' HB2' ' A' ' 21' ' ' ASP . 33.1 p -61.21 -33.54 73.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.467 HD13 HG11 ' A' ' 55' ' ' VAL . 39.7 mt -77.26 -61.11 2.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 157.86 -141.7 7.96 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.406 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 8.3 m-20 -110.78 -172.42 2.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.763 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.762 HG22 ' HE1' ' A' ' 52' ' ' PHE . 94.0 t -107.94 115.7 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.491 HD11 ' CB ' ' A' ' 53' ' ' SER . 29.1 mt -72.41 -72.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.464 ' N ' HG22 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -126.52 114.4 18.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.826 ' HE2' HD22 ' A' ' 50' ' ' LEU . 38.0 ttm -117.12 126.23 52.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.4 t -160.93 168.88 23.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.016 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -85.87 108.54 18.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.429 ' HB ' HG13 ' A' ' 106' ' ' VAL . 17.4 m -105.89 170.52 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.548 HG22 ' HG3' ' A' ' 46' ' ' GLU . 1.4 t -118.19 110.66 31.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.75 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.5 tmm? -139.27 123.29 17.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.79 -72.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -171.12 -74.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.584 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . 169.62 82.99 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 39' ' ' GLY . . . 66.8 130.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.2 t -178.75 -74.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 108.259 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.425 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 2.3 mp0 -127.15 -73.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.425 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 12.5 mm-40 -142.08 -168.34 2.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.0 ptpp? -84.81 138.2 32.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -103.6 91.72 4.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.548 ' HG3' HG22 ' A' ' 35' ' ' VAL . 11.4 mt-10 -69.07 144.93 53.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.446 ' NH1' ' OG ' ' A' ' 60' ' ' SER . 0.1 OUTLIER -162.79 176.96 9.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.417 ' O ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -114.0 131.55 56.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 111.03 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.677 ' HZ ' HD13 ' A' ' 104' ' ' ILE . 1.3 m-30 -120.19 116.83 26.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.826 HD22 ' HE2' ' A' ' 31' ' ' MET . 0.6 OUTLIER -102.25 110.51 22.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.524 HD22 ' CE3' ' A' ' 117' ' ' TRP . 10.2 tp -85.77 108.52 18.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.762 ' HE1' HG22 ' A' ' 28' ' ' VAL . 7.9 m-30 -91.62 -3.82 55.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.865 ' HA ' HD13 ' A' ' 124' ' ' LEU . 0.3 OUTLIER 83.93 -13.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.031 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.27 7.9 2.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.042 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.516 HG21 ' HD2' ' A' ' 73' ' ' LYS . 6.8 p -177.88 146.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.788 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.3 tm? -109.03 94.34 4.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.595 HG13 ' CE2' ' A' ' 52' ' ' PHE . 7.0 mm -77.36 133.52 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.587 ' O ' HD12 ' A' ' 59' ' ' LEU . 8.2 mtm -114.95 128.17 56.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.989 HD21 ' CD1' ' A' ' 14' ' ' ILE . 2.1 mp -118.31 155.63 30.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.446 ' OG ' ' NH1' ' A' ' 47' ' ' ARG . 2.2 m -131.9 136.35 47.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.016 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -126.56 98.45 5.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.372 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 p -56.07 159.85 5.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.024 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 58.08 4.75 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 177.25 168.61 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.494 ' O ' ' CB ' ' A' ' 66' ' ' SER . 8.1 tpt -40.8 120.6 1.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 65' ' ' MET . 2.7 t 159.41 123.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 66' ' ' SER . . . -60.4 -133.58 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.745 ' HD2' HD23 ' A' ' 59' ' ' LEU . 13.8 m-30 -109.57 141.15 42.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 0.0 111.012 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.2 ttt -118.49 115.0 23.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.481 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 54.2 t80 -66.74 134.8 52.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -145.95 97.39 2.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.344 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 69.1 159.11 1.78 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.142 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.516 ' HD2' HG21 ' A' ' 55' ' ' VAL . 15.7 pttt -147.82 128.92 14.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.745 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.844 HD11 HD12 ' A' ' 104' ' ' ILE . 7.7 mt -98.13 109.77 53.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 130.98 13.76 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.531 1.806 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.844 HD13 ' SD ' ' A' ' 79' ' ' MET . 30.6 mm -49.39 -28.27 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.64 -64.64 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.425 ' O ' ' CA ' ' A' ' 98' ' ' GLY . . . -85.2 13.43 54.81 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.476 1.11 . . . . 0.0 111.043 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.844 ' SD ' HD13 ' A' ' 76' ' ' ILE . 35.5 ttm -82.29 125.54 31.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 111.049 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.8 t -114.18 108.15 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.732 HG21 HD22 ' A' ' 121' ' ' LEU . 3.9 t -108.53 143.63 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -175.53 165.85 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -90.49 33.48 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 48.1 mtm 59.59 176.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.49 ' HE2' HD11 ' A' ' 96' ' ' ILE . 6.8 p90 -141.5 157.13 45.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.48 ' HB2' ' CG ' ' A' ' 103' ' ' ARG . 5.9 pt-20 -112.3 155.63 23.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.66 HG22 HD13 ' A' ' 74' ' ' ILE . 24.7 mt -129.42 99.52 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.798 HG22 ' HA ' ' A' ' 103' ' ' ARG . 52.6 p -115.12 -175.62 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.425 ' CA ' ' O ' ' A' ' 78' ' ' GLY . . . 154.93 -38.61 0.64 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.58 ' O ' HG23 ' A' ' 100' ' ' THR . 0.1 OUTLIER -52.13 -75.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 110.025 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 99' ' ' SER . 6.5 p -157.48 -78.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.436 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 14.2 m -117.24 -7.65 11.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -66.38 149.7 50.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.798 ' HA ' HG22 ' A' ' 97' ' ' THR . 22.6 ttm180 -141.71 138.2 32.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.844 HD12 HD11 ' A' ' 74' ' ' ILE . 2.5 mt -109.84 112.94 42.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.2 t -94.61 98.01 7.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.429 HG13 ' HB ' ' A' ' 34' ' ' VAL . 14.7 t -87.8 124.72 41.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -85.3 122.64 29.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.626 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 114' ' ' PHE . 32.1 p -52.24 133.28 34.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 108.294 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -91.57 -48.33 6.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.472 ' O ' ' CB ' ' A' ' 114' ' ' PHE . 0.5 OUTLIER -149.98 158.69 44.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.69 -64.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.25 -68.01 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.82 -62.5 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 108' ' ' CYS . 88.0 t80 -45.71 -66.29 0.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 111.007 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -42.2 -46.84 4.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.251 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.01 -61.87 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.817 ' O ' HD12 ' A' ' 121' ' ' LEU . 61.1 m95 -43.7 -53.31 5.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 108.034 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 1.1 mtp -59.45 -38.05 79.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.04 -69.67 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -48.8 -55.1 12.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.817 HD12 ' O ' ' A' ' 117' ' ' TRP . 5.7 mt -47.13 -51.97 16.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.432 ' O ' ' CG ' ' A' ' 126' ' ' LYS . 0.3 OUTLIER -45.8 -27.81 0.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.447 ' HB2' ' NH1' ' A' ' 123' ' ' ARG . 11.1 ttm105 -94.29 -58.2 2.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.865 HD13 ' HA ' ' A' ' 53' ' ' SER . 9.5 mt -38.16 -69.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 50.4 p -52.6 -48.71 66.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.415 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.432 ' CG ' ' O ' ' A' ' 122' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -57.8 157.04 16.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 176.0 10.46 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.465 1.771 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.802 ' CD1' HD21 ' A' ' 59' ' ' LEU . 4.2 mt -84.49 159.08 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.556 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 8.0 tt0 -104.03 134.94 46.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 75.8 33.23 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.583 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 60.0 t-105 -89.7 119.49 30.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 107.971 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' ASP . 55.9 mt-10 -57.02 166.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.13 76.41 0.05 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 18' ' ' GLU . 8.1 p-10 -160.32 170.51 20.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 0.785 . . . . 0.0 109.245 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.906 ' O ' HG22 ' A' ' 24' ' ' THR . 1.0 OUTLIER -103.5 139.82 38.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.583 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 5.8 tt -80.41 -27.68 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -81.42 -5.25 57.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.906 HG22 ' O ' ' A' ' 21' ' ' ASP . 2.4 t -87.57 -27.55 22.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.9 mt -72.39 -67.82 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.24 156.43 10.71 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.465 1.103 . . . . 0.0 111.026 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 -57.71 155.59 9.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 0.768 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.868 HG22 ' CE1' ' A' ' 52' ' ' PHE . 95.8 t -82.37 108.5 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.675 HD11 ' CB ' ' A' ' 53' ' ' SER . 35.0 mt -59.97 -74.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.565 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.3 OUTLIER -125.43 122.02 35.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 111.024 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.609 ' HE2' HD22 ' A' ' 50' ' ' LEU . 37.4 ttm -122.63 117.64 26.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.82 171.68 15.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.017 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -94.32 107.1 19.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.355 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.484 ' HB ' ' CG1' ' A' ' 106' ' ' VAL . 10.6 m -109.9 178.17 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.506 ' CG2' ' CD ' ' A' ' 46' ' ' GLU . 1.6 t -126.08 113.68 35.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.701 ' HG3' HG23 ' A' ' 104' ' ' ILE . 2.8 tmm? -133.64 126.17 30.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.11 -179.48 4.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.484 ' NE2' ' HB3' ' A' ' 40' ' ' ALA . 5.7 p-80 -101.67 -161.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.586 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.82 59.09 0.51 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.484 ' HB3' ' NE2' ' A' ' 38' ' ' HIS . . . -176.82 107.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 0.742 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.47 ' O ' ' O ' ' A' ' 42' ' ' GLU . 0.8 OUTLIER -46.99 -91.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 108.314 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER 44.3 99.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.292 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 42' ' ' GLU . 9.0 pt-20 45.5 -172.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.338 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.5 pttm -105.84 143.33 34.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 36' ' ' MET . 56.5 mm-40 -104.1 89.74 3.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.506 ' CD ' ' CG2' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -73.01 131.16 41.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -150.82 152.7 34.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -97.2 121.4 39.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.602 ' C ' HD23 ' A' ' 50' ' ' LEU . 1.7 m-30 -107.18 114.86 29.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.65 HD11 HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -105.46 110.77 23.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.881 HD11 HD11 ' A' ' 76' ' ' ILE . 6.7 tp -89.36 108.7 19.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.868 ' CE1' HG22 ' A' ' 28' ' ' VAL . 7.9 m-30 -90.88 4.3 52.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.745 ' HA ' HD13 ' A' ' 124' ' ' LEU . 1.0 OUTLIER 74.55 36.01 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.033 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.7 t -179.09 -32.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.016 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.445 HG21 ' CD ' ' A' ' 73' ' ' LYS . 7.1 p -141.5 147.96 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.681 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.7 tm? -102.98 94.17 5.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.606 HG13 ' CE2' ' A' ' 52' ' ' PHE . 14.2 mm -77.53 124.09 35.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.249 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.684 ' O ' HD12 ' A' ' 59' ' ' LEU . 39.9 mtm -108.73 134.48 51.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.802 HD21 ' CD1' ' A' ' 14' ' ' ILE . 5.4 mp -123.55 159.37 29.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 p -139.26 127.14 22.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -101.03 95.15 6.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.82 167.95 0.25 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 56.05 4.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.765 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -179.99 116.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.42 ' O ' ' HG3' ' A' ' 65' ' ' MET . 2.1 ptm -38.89 117.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 65' ' ' MET . 3.2 t 178.95 73.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.036 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 66' ' ' SER . . . 37.05 -153.44 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.5 ' CB ' HD23 ' A' ' 59' ' ' LEU . 31.0 m-85 -112.12 169.28 8.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 0.761 . . . . 0.0 110.954 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.0 ttt -133.39 124.09 26.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -76.2 118.14 18.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -94.94 -60.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 110.274 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.48 ' O ' ' CE ' ' A' ' 58' ' ' MET . . . -156.73 160.6 30.42 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.445 ' CD ' HG21 ' A' ' 55' ' ' VAL . 1.1 pttp -126.87 150.73 49.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 0.724 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.682 ' HB ' ' HE1' ' A' ' 79' ' ' MET . 9.3 mt -125.33 133.46 24.87 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.02 128.64 11.63 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.476 1.777 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.881 HD11 HD11 ' A' ' 51' ' ' LEU . 12.1 mm -55.68 -35.21 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.38 -87.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -42.99 -26.16 0.44 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.682 ' HE1' ' HB ' ' A' ' 74' ' ' ILE . 6.2 tpp -41.94 154.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 0.73 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.4 t -144.16 108.29 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.3 t -122.35 133.14 69.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -156.8 33.26 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 42.12 39.0 1.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.48 HD13 ' HA ' ' A' ' 84' ' ' LEU . 1.3 mm? . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 17.8 t . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -117.24 -169.35 1.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.438 ' HE2' HD11 ' A' ' 96' ' ' ILE . 4.3 p90 -148.98 160.34 43.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.588 ' HG3' HG23 ' A' ' 97' ' ' THR . 5.1 pt-20 -118.69 144.33 46.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.564 HD12 ' HE2' ' A' ' 49' ' ' PHE . 26.8 mt -114.96 95.82 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 1.016 HG22 ' HA ' ' A' ' 103' ' ' ARG . 45.9 p -107.56 175.72 5.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.453 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -176.51 38.46 0.1 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.32 -173.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 0.779 . . . . 0.0 109.983 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.409 ' O ' HG23 ' A' ' 100' ' ' THR . 11.7 t -102.39 41.27 1.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.365 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 1.5 p -170.01 -42.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.85 155.73 22.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 1.016 ' HA ' HG22 ' A' ' 97' ' ' THR . 32.0 ttp180 -179.78 112.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.701 HG23 ' HG3' ' A' ' 36' ' ' MET . 4.4 mt -106.62 131.82 55.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 47.7 t -112.99 98.41 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.484 ' CG1' ' HB ' ' A' ' 34' ' ' VAL . 3.4 t -86.92 125.85 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -77.97 165.11 24.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.608 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 30.6 p -172.58 157.68 3.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 108.284 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -108.43 16.09 23.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 64.05 85.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -135.47 -175.77 4.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -27.8 65.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.98 -57.4 9.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -52.37 -62.25 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.2 -38.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.18 -53.39 55.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.78 ' O ' HD12 ' A' ' 121' ' ' LEU . 50.1 m95 -48.3 -43.19 32.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 107.982 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 88.2 mmm -69.9 -38.24 76.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 122' ' ' ASN . 0.0 OUTLIER -61.27 -52.38 64.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 110.253 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.512 ' O ' ' CG ' ' A' ' 123' ' ' ARG . 1.5 pt20 -66.83 -55.9 12.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.78 HD12 ' O ' ' A' ' 117' ' ' TRP . 7.9 mt -48.72 -25.66 1.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.3 OUTLIER -66.65 -26.72 67.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.73 ' HG3' HD23 ' A' ' 124' ' ' LEU . 0.6 OUTLIER -104.98 -26.7 12.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.745 HD13 ' HA ' ' A' ' 53' ' ' SER . 10.0 mt -72.68 -58.42 3.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 121' ' ' LEU . 19.6 p -68.3 -51.4 45.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.1 m . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -77.77 153.71 80.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -165.26 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.541 1.811 . . . . 0.0 111.039 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 1.003 ' CD1' HD21 ' A' ' 59' ' ' LEU . 4.4 mt -95.15 149.21 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -97.03 134.12 40.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 66.07 34.07 7.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 39.8 t-105 -62.61 152.23 35.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 108.023 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -157.0 177.73 11.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.03 74.57 0.41 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 49.5 -176.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 109.317 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.53 171.43 6.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.6 tt -89.39 -21.41 6.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.07 -4.21 58.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.3 p -97.94 -23.13 15.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.362 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.2 mt -69.33 -69.47 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 178.41 -123.19 0.85 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.137 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -141.8 145.99 35.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.842 HG22 ' HE1' ' A' ' 52' ' ' PHE . 85.7 t -70.55 95.38 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.7 HG22 ' N ' ' A' ' 30' ' ' PHE . 8.8 mt -48.31 -79.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.7 ' N ' HG22 ' A' ' 29' ' ' ILE . 43.2 t80 -137.42 121.47 17.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 ptm -114.86 146.39 41.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.5 m -161.35 154.76 21.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -74.79 104.73 5.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.463 ' HB ' ' CG1' ' A' ' 106' ' ' VAL . 10.3 m -106.88 179.16 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.429 HG22 ' CG ' ' A' ' 46' ' ' GLU . 2.2 t -133.26 115.14 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.873 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.6 tmm? -135.15 123.18 22.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.411 ' CB ' ' HB3' ' A' ' 45' ' ' GLU . 3.0 tm0? -128.61 169.81 13.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -111.82 105.53 14.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.628 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.12 -130.2 50.67 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -126.39 128.15 46.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 13.1 t -132.81 -63.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 108.295 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.424 ' C ' ' CG ' ' A' ' 43' ' ' GLU . 16.0 mt-10 -144.29 -59.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.424 ' CG ' ' C ' ' A' ' 42' ' ' GLU . 5.1 mt-10 -153.29 -178.06 6.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.35 155.52 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 36' ' ' MET . 4.7 tp10 -119.46 105.44 11.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.429 ' CG ' HG22 ' A' ' 35' ' ' VAL . 11.8 mt-10 -79.65 146.97 32.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.446 ' NH1' ' SD ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -162.72 172.77 14.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.273 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -120.33 119.54 33.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.744 ' C ' HD23 ' A' ' 50' ' ' LEU . 2.1 m-30 -103.7 127.31 51.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.798 HD11 HD22 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -115.89 114.92 25.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.805 HD21 HD12 ' A' ' 124' ' ' LEU . 7.4 tp -90.86 113.9 26.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.842 ' HE1' HG22 ' A' ' 28' ' ' VAL . 8.5 m-30 -97.58 4.02 50.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.528 ' HB3' HD11 ' A' ' 29' ' ' ILE . 1.1 p 74.26 41.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.028 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 171.4 -29.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.969 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.719 HG21 ' HD3' ' A' ' 73' ' ' LYS . 3.5 p -142.83 139.98 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.774 HD13 ' O ' ' A' ' 56' ' ' LEU . 1.7 tm? -100.99 95.79 6.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.594 HG13 ' CE2' ' A' ' 52' ' ' PHE . 8.4 mm -78.54 139.12 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.368 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.699 ' O ' HD12 ' A' ' 59' ' ' LEU . 9.5 mtm -120.15 127.16 52.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 111.042 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 1.003 HD21 ' CD1' ' A' ' 14' ' ' ILE . 6.5 mp -122.72 156.37 34.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.3 p -140.14 130.43 25.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.036 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.97 106.87 15.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.471 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.1 OUTLIER 172.96 -54.72 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.019 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.3 Cg_endo -75.02 -179.02 4.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 64.25 -76.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 63' ' ' PRO . 4.2 ttp -178.69 -65.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.1 t -148.52 -173.25 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.031 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 71.07 -131.91 20.96 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.472 ' CG ' HD23 ' A' ' 59' ' ' LEU . 39.8 m-85 -140.32 155.68 46.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 111.01 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.9 ttt -131.02 110.23 11.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -60.8 137.03 58.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -140.74 78.06 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 76.26 167.76 25.4 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.719 ' HD3' HG21 ' A' ' 55' ' ' VAL . 11.4 ptpt -149.3 132.64 16.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.675 HD11 ' CD1' ' A' ' 104' ' ' ILE . 4.4 mt -102.59 113.87 65.65 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 132.18 15.18 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.479 1.778 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.427 HD13 ' SD ' ' A' ' 79' ' ' MET . 21.3 mm -50.09 -41.48 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.82 121.77 7.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 84.83 -32.55 3.44 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.559 ' CE ' HG22 ' A' ' 74' ' ' ILE . 40.3 ttm -37.24 145.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 0.805 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.5 t -128.05 107.89 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.88 HG21 HD22 ' A' ' 121' ' ' LEU . 3.7 t -107.29 145.5 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 167.82 146.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -72.89 57.02 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -97.75 -179.13 4.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.48 ' N ' ' CD1' ' A' ' 94' ' ' PHE . 2.9 p90 -130.21 176.64 7.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.429 ' HG3' HG23 ' A' ' 97' ' ' THR . 3.5 pt-20 -129.0 145.01 51.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 110.264 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.1 mt -119.73 99.39 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.984 HG22 ' HA ' ' A' ' 103' ' ' ARG . 11.3 p -113.26 -175.02 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.389 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -139.83 -72.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.051 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.421 ' O ' ' HB ' ' A' ' 100' ' ' THR . 28.4 t -100.51 -75.85 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.754 . . . . 0.0 109.975 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 99' ' ' SER . 1.3 t 179.88 53.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.426 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.672 HG22 ' O ' ' A' ' 101' ' ' VAL . 2.5 p -178.77 52.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.369 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' ' 103' ' ' ARG . 0.3 OUTLIER -146.99 -70.62 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.262 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.984 ' HA ' HG22 ' A' ' 97' ' ' THR . 22.0 ttt180 43.03 94.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.873 HG23 ' HG3' ' A' ' 36' ' ' MET . 6.7 mt -103.67 106.53 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 28.7 t -82.69 98.19 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.594 HG23 HG22 ' A' ' 104' ' ' ILE . 43.2 t -91.65 115.45 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -72.28 162.83 28.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.596 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 109' ' ' ASN . 5.8 p -170.15 -47.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 108.311 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 108' ' ' CYS . 4.8 t-20 82.33 18.56 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 65.25 85.57 0.14 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -131.24 -172.62 2.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.6 -63.84 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -40.2 -52.14 2.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.575 ' CE1' ' HG3' ' A' ' 118' ' ' MET . 23.3 t80 -48.4 -59.6 3.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -38.09 -64.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.321 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.7 OUTLIER -42.28 -58.14 2.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.73 ' O ' HD12 ' A' ' 121' ' ' LEU . 59.4 m95 -47.59 -47.33 28.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 108.002 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.575 ' HG3' ' CE1' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -67.57 -26.24 66.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 0.0 111.041 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -70.65 -53.43 15.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.295 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 123' ' ' ARG . 6.9 pt20 -68.58 -55.88 10.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.88 HD22 HG21 ' A' ' 81' ' ' VAL . 5.8 mt -49.5 -24.02 1.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.4 OUTLIER -69.65 -28.1 65.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 120' ' ' GLN . 2.5 ptp180 -105.68 -36.43 7.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.805 HD12 HD21 ' A' ' 51' ' ' LEU . 23.2 mt -56.59 -81.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.436 ' H ' HG23 ' A' ' 125' ' ' THR . 71.1 p -42.39 -43.81 3.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.364 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 5.4 mttt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -79.7 154.33 75.89 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 128.65 11.64 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.484 1.781 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.895 HD13 HD21 ' A' ' 59' ' ' LEU . 5.5 mt -85.17 110.95 19.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.719 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 4.4 tt0 -49.67 134.76 19.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 86.5 -42.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.571 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 31.6 t-105 -39.54 114.4 0.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 107.989 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -155.31 137.51 14.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.078 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.72 -94.95 0.5 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -100.54 165.58 11.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.786 ' O ' HG22 ' A' ' 24' ' ' THR . 1.6 m-20 -79.02 169.16 18.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.571 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 3.7 tt -92.79 -33.17 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -73.91 -7.1 51.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.786 HG22 ' O ' ' A' ' 21' ' ' ASP . 6.7 t -87.74 -24.57 23.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.4 mt -77.49 -77.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 174.36 164.55 29.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -61.31 170.68 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.681 HG22 ' HE1' ' A' ' 52' ' ' PHE . 74.1 t -93.19 102.1 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.651 HD11 ' HB3' ' A' ' 53' ' ' SER . 44.1 mt -54.13 -78.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.57 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.5 OUTLIER -129.09 126.25 38.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 111.025 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.448 ' O ' ' CG ' ' A' ' 31' ' ' MET . 13.1 ptm -127.15 127.5 44.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.7 p -154.57 150.88 28.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.04 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -73.46 104.82 4.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 46' ' ' GLU . 15.2 m -105.3 177.57 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 t -126.41 112.71 30.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.832 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.7 tmm? -133.09 123.69 26.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.457 ' HB3' ' CG ' ' A' ' 45' ' ' GLU . 4.9 pt20 -128.91 -174.47 3.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -99.54 -59.17 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.575 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -157.42 -125.5 0.85 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.78 86.46 2.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.1 m -108.6 177.03 4.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 108.258 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.24 -72.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' LYS . 12.9 mt-10 -142.95 178.57 7.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' GLU . 38.2 mttm -39.61 140.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.457 ' CG ' ' HB3' ' A' ' 37' ' ' GLN . 5.8 mm-40 -103.44 82.41 2.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 34' ' ' VAL . 1.4 mt-10 -70.03 140.07 52.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 0.0 OUTLIER -154.37 174.64 14.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.415 ' O ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -119.67 118.77 31.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 111.018 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.543 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 2.1 m-30 -107.37 118.16 35.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.817 HD11 HD22 ' A' ' 59' ' ' LEU . 1.6 mt -108.55 110.18 21.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.77 HD21 HD12 ' A' ' 124' ' ' LEU . 7.0 tp -85.8 112.77 21.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.681 ' HE1' HG22 ' A' ' 28' ' ' VAL . 6.8 m-30 -94.56 4.43 53.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.651 ' HB3' HD11 ' A' ' 29' ' ' ILE . 1.3 p 74.4 42.5 0.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.64 -28.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.006 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.475 HG21 ' HD3' ' A' ' 73' ' ' LYS . 5.6 p -143.03 144.66 23.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.749 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.2 tm? -102.72 94.37 5.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.619 HG22 HD13 ' A' ' 59' ' ' LEU . 15.1 mm -77.35 130.38 36.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.651 ' O ' HD12 ' A' ' 59' ' ' LEU . 32.5 mtm -112.74 121.93 46.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.895 HD21 HD13 ' A' ' 14' ' ' ILE . 3.7 mp -122.07 160.14 25.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 47' ' ' ARG . 22.7 t -150.25 153.9 37.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.04 98.05 5.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.68 168.35 12.8 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.974 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 69.81 5.49 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.535 1.808 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.97 -58.21 1.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 169.69 -35.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.66 -176.35 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.993 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.8 146.2 19.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.638 ' CD2' HD23 ' A' ' 59' ' ' LEU . 12.3 m-30 -106.48 135.15 48.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 110.983 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.402 ' O ' ' HA ' ' A' ' 59' ' ' LEU . 14.0 ttt -105.62 125.59 51.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.503 ' CD1' ' CE3' ' A' ' 17' ' ' TRP . 68.8 t80 -88.18 106.64 18.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.413 ' HG2' ' NH2' ' A' ' 47' ' ' ARG . 6.8 mm-40 -80.11 -67.81 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -151.43 174.67 30.54 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.475 ' HD3' HG21 ' A' ' 55' ' ' VAL . 2.4 ptpt -130.91 152.53 50.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.602 ' CG2' ' CE ' ' A' ' 79' ' ' MET . 6.3 mt -131.77 121.61 18.17 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.13 8.4 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.782 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.731 HD11 HD11 ' A' ' 51' ' ' LEU . 32.0 mm -50.23 -25.56 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.73 -67.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.65 -6.7 59.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.602 ' CE ' ' CG2' ' A' ' 74' ' ' ILE . 4.5 ttm -70.72 134.87 47.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 110.984 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.1 t -124.16 109.21 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.483 ' HB ' HG21 ' A' ' 125' ' ' THR . 3.1 t -117.27 147.49 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.463 ' O ' HD12 ' A' ' 84' ' ' LEU . 7.0 p30 177.24 128.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -40.99 114.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.988 HD11 ' HG2' ' A' ' 95' ' ' GLU . 8.7 mp . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 84.8 mtp 51.23 175.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.711 ' HA ' HD13 ' A' ' 84' ' ' LEU . 3.1 p90 -162.4 174.37 12.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.988 ' HG2' HD11 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -128.01 155.15 44.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.584 HG23 ' SD ' ' A' ' 79' ' ' MET . 16.2 mt -128.22 91.9 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.373 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.824 HG23 ' OE2' ' A' ' 95' ' ' GLU . 15.7 p -102.7 -175.44 2.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.435 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 111.72 98.46 2.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.8 p 179.55 -59.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.716 HG23 HG12 ' A' ' 101' ' ' VAL . 11.5 t -167.17 -48.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.362 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.716 HG12 HG23 ' A' ' 100' ' ' THR . 2.5 p -179.14 57.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -141.46 142.97 33.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.439 ' HA ' HG22 ' A' ' 97' ' ' THR . 10.6 ttm180 -123.2 132.84 54.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.832 HG23 ' HG3' ' A' ' 36' ' ' MET . 9.2 mt -105.99 116.97 50.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' ' 105' ' ' VAL . 2.9 t -98.05 98.01 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.559 ' HB ' ' CE1' ' A' ' 94' ' ' PHE . 17.1 t -82.72 109.15 16.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.231 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.4 ' O ' ' SG ' ' A' ' 108' ' ' CYS . 4.4 m-70 -70.11 147.1 50.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.599 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 107' ' ' HIS . 0.8 OUTLIER 167.51 88.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 108.274 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 -40.23 -54.61 2.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.7 t30 173.02 156.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 114' ' ' PHE . 0.7 OUTLIER 167.12 142.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 0.0 109.254 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -42.98 -30.64 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.77 -50.0 66.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.475 ' CE2' ' HG3' ' A' ' 118' ' ' MET . 52.5 t80 -53.25 -48.86 67.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -45.37 -54.26 7.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 119' ' ' GLU . 1.5 tt0 -49.57 -58.06 5.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.648 ' HE3' HD11 ' A' ' 121' ' ' LEU . 61.1 m95 -44.55 -50.81 9.42 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.475 ' HG3' ' CE2' ' A' ' 114' ' ' PHE . 89.2 mmm -67.54 -29.0 68.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -71.83 -51.54 21.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.459 ' O ' ' CG ' ' A' ' 123' ' ' ARG . 9.1 pt20 -67.62 -56.49 9.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.332 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.648 HD11 ' HE3' ' A' ' 117' ' ' TRP . 7.9 mt -50.05 -23.88 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 118' ' ' MET . 0.3 OUTLIER -70.14 -30.12 67.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.459 ' CG ' ' O ' ' A' ' 120' ' ' GLN . 12.2 ptm180 -102.98 -38.35 7.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.77 HD12 HD21 ' A' ' 51' ' ' LEU . 18.9 mt -53.5 -74.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.483 HG21 ' HB ' ' A' ' 81' ' ' VAL . 69.9 p -46.07 -57.87 4.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.418 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -43.81 166.36 0.11 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 147.02 33.65 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.507 1.793 . . . . 0.0 111.061 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.761 ' CD1' HD21 ' A' ' 59' ' ' LEU . 9.3 mt -71.68 132.83 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -67.41 153.16 44.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 50.84 51.66 16.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.566 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 68.5 t-105 -99.92 137.45 38.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 108.002 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -141.65 138.74 32.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.259 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 145.66 -117.04 0.94 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.39 -50.7 1.0 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.952 ' O ' HG22 ' A' ' 24' ' ' THR . 0.2 OUTLIER -173.47 143.31 1.04 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.362 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.566 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 9.9 tt -74.44 -15.12 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -92.65 -6.58 49.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.952 HG22 ' O ' ' A' ' 21' ' ' ASP . 4.3 t -88.26 -24.81 23.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.406 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.5 mt -73.85 -81.85 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.01 162.79 28.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -60.43 167.44 2.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.808 HG22 ' CE1' ' A' ' 52' ' ' PHE . 64.9 t -94.24 102.07 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.599 HG22 ' N ' ' A' ' 30' ' ' PHE . 13.7 mt -55.62 -78.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.599 ' N ' HG22 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -121.07 121.68 38.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.705 ' HG3' HD22 ' A' ' 50' ' ' LEU . 11.9 ttm -125.51 127.94 47.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.39 172.17 17.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -85.91 106.64 17.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.43 ' HB ' ' CG1' ' A' ' 106' ' ' VAL . 4.2 m -106.14 176.65 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.541 HG22 ' HA ' ' A' ' 46' ' ' GLU . 2.1 t -131.86 118.85 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.863 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.2 tmm? -138.83 119.31 13.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -112.72 149.27 33.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.343 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -79.02 -68.45 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.586 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -136.25 -124.52 2.38 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.473 1.108 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -111.28 112.31 23.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 0.8 . . . . 0.0 109.252 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.7 t -126.8 -74.11 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 108.315 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.416 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 0.6 OUTLIER -137.17 -79.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.261 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.416 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 5.1 mm-40 -138.78 -169.67 2.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -47.35 147.48 1.6 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 36' ' ' MET . 17.6 tt0 -111.11 98.68 7.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.541 ' HA ' HG22 ' A' ' 35' ' ' VAL . 1.2 tm-20 -82.39 130.15 35.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 110.249 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.96 178.93 8.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -117.56 134.46 54.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.993 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.8 ' C ' HD23 ' A' ' 50' ' ' LEU . 1.6 m-30 -120.58 125.32 47.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.822 HD11 HD22 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -115.25 112.57 22.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.609 HD11 HD11 ' A' ' 76' ' ' ILE . 6.3 tp -87.22 113.56 23.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.808 ' CE1' HG22 ' A' ' 28' ' ' VAL . 6.3 m-30 -99.75 5.86 45.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.941 ' HA ' HD13 ' A' ' 124' ' ' LEU . 48.2 t 68.5 40.5 1.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.955 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 t 178.71 -30.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.034 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.3 p -148.41 146.63 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.641 HD11 ' CE1' ' A' ' 49' ' ' PHE . 3.1 tm? -99.75 93.75 5.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.584 HG13 ' CE2' ' A' ' 52' ' ' PHE . 26.2 mm -75.71 129.27 37.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.68 ' O ' HD12 ' A' ' 59' ' ' LEU . 18.5 mtm -113.11 133.61 54.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.822 HD22 HD11 ' A' ' 50' ' ' LEU . 5.9 mp -122.39 159.17 28.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.7 m -141.37 133.84 28.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.74 -173.71 2.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.469 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.1 OUTLIER 173.23 -55.13 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.469 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.4 Cg_endo -75.0 -174.36 1.91 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.4 ' O ' ' CG ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -133.48 67.8 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.29 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.9 ptm 173.06 -35.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.01 158.04 25.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.984 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.72 -118.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.459 ' CG ' HD23 ' A' ' 59' ' ' LEU . 13.9 m-85 -127.2 170.65 12.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.746 . . . . 0.0 111.051 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.0 ttt -127.4 115.96 19.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 2.7 t80 -67.49 140.92 57.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -144.0 95.11 2.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.277 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 61.66 163.97 0.28 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.3 pttt -149.78 125.49 10.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.623 HD11 ' CD1' ' A' ' 104' ' ' ILE . 7.9 mt -98.92 121.81 54.7 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 127.45 10.67 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.899 HD13 ' SD ' ' A' ' 79' ' ' MET . 16.2 mm -56.98 -24.39 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.9 -67.64 0.25 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -88.03 24.47 11.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.899 ' SD ' HD13 ' A' ' 76' ' ' ILE . 35.9 ttm -90.71 131.56 36.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 41.5 t -113.7 108.11 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.799 HG21 HD22 ' A' ' 121' ' ' LEU . 4.0 t -102.36 149.95 6.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -179.54 146.48 0.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -85.77 47.56 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.277 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.498 HD21 ' HB3' ' A' ' 95' ' ' GLU . 4.0 mm? . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.7 ptm 172.9 176.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.518 ' HE2' HD11 ' A' ' 96' ' ' ILE . 2.2 p90 -160.06 164.86 32.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.498 ' HB3' HD21 ' A' ' 84' ' ' LEU . 22.0 pt-20 -124.75 132.13 53.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.518 HD11 ' HE2' ' A' ' 94' ' ' PHE . 76.7 mt -102.63 96.69 4.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 1.018 HG22 ' HA ' ' A' ' 103' ' ' ARG . 49.0 p -105.87 -175.57 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.414 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -148.26 -47.14 0.03 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.652 ' O ' HG23 ' A' ' 101' ' ' VAL . 0.2 OUTLIER -141.89 44.96 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 0.796 . . . . 0.0 109.988 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 41.4 p 45.63 41.92 7.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.411 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 99' ' ' SER . 58.8 t -142.09 -45.82 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 103' ' ' ARG . 4.4 tp10 -61.16 -65.27 0.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 1.018 ' HA ' HG22 ' A' ' 97' ' ' THR . 11.9 ttt180 49.04 99.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.863 HG23 ' HG3' ' A' ' 36' ' ' MET . 6.2 mt -112.08 109.82 29.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 40.7 t -90.27 97.84 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.506 ' HB ' ' CE1' ' A' ' 94' ' ' PHE . 20.8 t -84.36 137.81 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -108.36 164.93 11.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.577 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 176.47 133.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 108.251 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -100.22 -43.46 6.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.435 ' O ' ' CB ' ' A' ' 111' ' ' ASN . 9.1 m-80 -43.68 -48.14 7.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 110' ' ' ASN . 1.6 t30 77.14 -57.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.43 -47.39 1.8 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 2.4 m-20 -67.59 -58.74 4.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 117' ' ' TRP . 6.0 t80 -45.7 -54.87 7.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -38.75 -38.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.58 -50.38 45.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.836 ' O ' HD12 ' A' ' 121' ' ' LEU . 42.1 m95 -44.97 -44.09 9.57 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 87.7 mmm -63.36 -41.0 98.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -68.33 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.341 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.407 ' O ' ' HG ' ' A' ' 124' ' ' LEU . 0.8 OUTLIER -49.1 -57.55 6.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.317 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.836 HD12 ' O ' ' A' ' 117' ' ' TRP . 8.3 mt -45.61 -52.73 10.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -42.45 -28.63 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.408 ' N ' ' C ' ' A' ' 121' ' ' LEU . 29.8 ttt180 -95.83 -59.52 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.941 HD13 ' HA ' ' A' ' 53' ' ' SER . 8.2 mt -43.07 -70.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.591 HG21 ' CG2' ' A' ' 81' ' ' VAL . 43.0 p -57.11 -49.84 74.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.1 mttm . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -110.83 160.81 27.4 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 164.34 33.57 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.982 ' CD1' HD21 ' A' ' 59' ' ' LEU . 4.6 mt -84.76 151.15 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.652 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 12.1 tt0 -92.22 129.86 38.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 80.65 23.32 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.608 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 60.8 t-105 -79.16 115.34 18.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 108.026 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -127.09 126.64 43.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.35 -153.77 17.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -65.24 -161.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 0.765 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.541 ' O ' HG22 ' A' ' 24' ' ' THR . 1.8 m-20 -82.86 175.56 9.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.608 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 5.0 tt -97.18 -23.35 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -91.92 -2.85 56.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.541 HG22 ' O ' ' A' ' 21' ' ' ASP . 14.8 t -94.24 -22.52 18.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.444 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.403 HD13 HG11 ' A' ' 55' ' ' VAL . 45.7 mt -67.1 -80.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.76 45.78 0.21 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.563 1.164 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.604 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER 44.37 -166.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.924 HG22 ' CE1' ' A' ' 52' ' ' PHE . 65.4 t -116.98 116.9 53.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.535 HG22 ' N ' ' A' ' 30' ' ' PHE . 21.1 mt -78.17 -73.98 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 113' ' ' ASP . 0.3 OUTLIER -126.75 121.79 32.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.56 ' HE3' HG11 ' A' ' 28' ' ' VAL . 5.5 ptm -128.04 133.48 49.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 111.045 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.37 168.17 24.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -86.39 106.33 17.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.565 ' HB ' HG13 ' A' ' 106' ' ' VAL . 21.7 m -108.05 171.24 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.572 HG23 ' HG2' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -121.3 109.88 26.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 45' ' ' GLU . 1.3 tmm? -133.46 119.53 19.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.47 147.59 50.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -42.96 -64.2 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.549 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -168.81 -81.09 0.05 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -126.55 86.95 2.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 0.789 . . . . 0.0 109.28 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 58.2 m -106.52 -72.98 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 108.275 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -143.66 -67.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -148.91 175.29 11.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -42.03 136.83 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 36' ' ' MET . 19.8 tt0 -107.3 99.86 9.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.572 ' HG2' HG23 ' A' ' 35' ' ' VAL . 1.7 mt-10 -78.34 136.61 37.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.9 166.93 31.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.421 ' O ' ' HA ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -109.22 137.61 46.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.694 ' C ' HD23 ' A' ' 50' ' ' LEU . 1.7 m-30 -122.03 118.93 29.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.881 HD11 HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -109.26 110.07 21.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.665 HD21 HD12 ' A' ' 124' ' ' LEU . 9.9 tp -86.83 114.44 23.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.924 ' CE1' HG22 ' A' ' 28' ' ' VAL . 7.9 m-30 -100.73 9.34 42.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.842 ' HA ' HD13 ' A' ' 124' ' ' LEU . 4.2 t 65.71 42.61 3.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.418 ' N ' HG13 ' A' ' 76' ' ' ILE . 0.3 OUTLIER 175.81 -30.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.482 ' CG2' ' HD3' ' A' ' 73' ' ' LYS . 9.6 p -146.08 149.0 16.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.774 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.5 tm? -105.15 92.66 4.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.616 HG13 ' CE2' ' A' ' 52' ' ' PHE . 12.0 mm -76.61 128.66 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.762 ' O ' HD12 ' A' ' 59' ' ' LEU . 11.6 mtm -108.47 132.55 53.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.982 HD21 ' CD1' ' A' ' 14' ' ' ILE . 8.2 mp -126.59 158.75 35.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.0 m -142.8 148.44 37.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.09 87.06 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.475 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -79.67 -53.56 1.0 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.984 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 62' ' ' SER . 18.3 Cg_endo -74.97 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.41 175.78 1.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.1 ttp -60.57 161.41 7.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.9 t 76.66 103.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.958 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.51 137.44 7.55 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.504 1.128 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.473 ' CB ' HD23 ' A' ' 59' ' ' LEU . 13.9 m-85 -127.75 169.92 13.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 16.5 ttt -132.18 119.02 20.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.498 ' OH ' ' CG ' ' A' ' 73' ' ' LYS . 72.2 t80 -62.98 141.64 58.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -137.54 66.31 1.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.345 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.81 171.38 19.47 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.498 ' CG ' ' OH ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -143.22 164.62 29.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.761 . . . . 0.0 109.325 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.785 ' HB ' ' HE1' ' A' ' 79' ' ' MET . 7.7 mt -135.14 130.04 19.16 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.98 136.09 19.97 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.545 HD11 HD11 ' A' ' 51' ' ' LEU . 15.9 mm -61.09 -21.6 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.57 -81.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.2 -20.34 4.72 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.785 ' HE1' ' HB ' ' A' ' 74' ' ' ILE . 5.2 tpp -46.63 153.94 0.34 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 0.753 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.2 t -142.8 105.04 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.422 HG21 HD22 ' A' ' 121' ' ' LEU . 4.2 t -111.08 140.78 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -178.08 129.93 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -42.13 118.3 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.636 HD21 ' HG2' ' A' ' 95' ' ' GLU . 13.1 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 58.5 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.81 175.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.41 ' CD1' ' HE1' ' A' ' 114' ' ' PHE . 4.1 p90 -152.35 155.22 37.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.636 ' HG2' HD21 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -112.22 156.4 22.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.51 HG23 ' SD ' ' A' ' 79' ' ' MET . 21.1 mt -127.93 91.34 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.676 HG22 ' HA ' ' A' ' 103' ' ' ARG . 32.2 p -111.22 -176.02 2.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 99' ' ' SER . . . 131.94 -47.06 1.03 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.434 1.084 . . . . 0.0 111.032 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 98' ' ' GLY . 1.1 t -39.31 -63.41 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.751 . . . . 0.0 109.983 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 52.5 m -152.75 -71.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 102' ' ' GLU . 43.4 t -141.72 -45.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 101' ' ' VAL . 2.1 tt0 -37.46 136.3 0.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.676 ' HA ' HG22 ' A' ' 97' ' ' THR . 19.4 ttm105 -112.89 121.11 43.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.505 ' CD1' HD11 ' A' ' 74' ' ' ILE . 4.8 mt -85.01 106.12 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.406 1.066 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 41.9 t -96.58 98.26 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.565 HG13 ' HB ' ' A' ' 34' ' ' VAL . 8.0 t -83.6 117.66 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.504 ' CD2' HG12 ' A' ' 35' ' ' VAL . 2.2 m-70 -70.1 141.07 52.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.612 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.449 ' CB ' ' O ' ' A' ' 107' ' ' HIS . 0.6 OUTLIER 163.55 101.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.138 . . . . 0.0 108.26 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -50.22 -54.4 21.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.416 ' O ' ' O ' ' A' ' 111' ' ' ASN . 58.0 t30 -163.06 -66.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.416 ' O ' ' O ' ' A' ' 110' ' ' ASN . 4.3 m120 49.08 -177.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -97.84 -45.23 6.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 4.0 m-20 -45.73 -64.38 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.478 ' CE1' ' HG3' ' A' ' 118' ' ' MET . 14.0 t80 -41.49 -52.86 3.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -37.86 -41.68 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.334 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -67.74 -48.19 67.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.754 ' O ' HD12 ' A' ' 121' ' ' LEU . 51.1 m95 -45.82 -48.14 15.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 108.025 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.478 ' HG3' ' CE1' ' A' ' 114' ' ' PHE . 2.5 mtp -67.18 -29.0 68.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 116' ' ' GLU . 2.4 tt0 -70.59 -51.69 26.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.512 ' O ' ' CG ' ' A' ' 123' ' ' ARG . 10.7 pt20 -68.79 -55.53 10.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.754 HD12 ' O ' ' A' ' 117' ' ' TRP . 4.9 mt -48.91 -24.83 1.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.3 OUTLIER -67.0 -26.54 66.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.703 ' HG3' HD23 ' A' ' 124' ' ' LEU . 15.2 ptt180 -105.29 -27.85 11.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.842 HD13 ' HA ' ' A' ' 53' ' ' SER . 10.3 mt -70.32 -65.93 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 29.0 p -61.08 -57.04 14.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.443 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -42.89 157.26 0.24 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.259 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 156.44 42.83 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.45 1.763 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.764 ' CD1' HD21 ' A' ' 59' ' ' LEU . 6.9 mt -70.18 130.95 34.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.537 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 1.5 tt0 -72.27 148.2 45.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 73.44 5.09 4.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.663 ' CH2' HD12 ' A' ' 22' ' ' ILE . 63.1 t-105 -72.46 127.23 31.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 107.983 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -131.16 176.09 8.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.11 -126.72 7.83 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.523 1.14 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -107.48 -177.04 3.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 0.754 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -59.86 160.45 7.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.663 HD12 ' CH2' ' A' ' 17' ' ' TRP . 6.6 tt -82.01 -27.32 9.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -60.94 -15.18 28.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.4 p -74.48 -30.65 61.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.452 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.591 HD13 HG11 ' A' ' 55' ' ' VAL . 74.1 mt -75.62 -56.03 5.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 155.43 -128.84 2.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.562 1.164 . . . . 0.0 110.975 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.494 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 43.9 p-10 -123.44 -161.79 1.0 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 0.751 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.831 HG22 ' HE1' ' A' ' 52' ' ' PHE . 92.5 t -117.23 104.3 16.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.567 HD11 ' CB ' ' A' ' 53' ' ' SER . 30.8 mt -59.94 -75.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.521 ' N ' HG22 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -124.74 120.55 32.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.962 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.55 ' HG3' HD22 ' A' ' 50' ' ' LEU . 21.6 ttm -121.5 127.45 51.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.89 168.77 25.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -86.57 105.51 16.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.494 ' HB ' HG13 ' A' ' 106' ' ' VAL . 3.9 m -105.02 179.2 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.54 HG22 ' HA ' ' A' ' 46' ' ' GLU . 2.1 t -137.5 117.31 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.503 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.6 tmm? -137.94 121.9 17.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.432 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 1.5 tp60 -126.11 145.93 50.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.405 ' CD2' ' C ' ' A' ' 38' ' ' HIS . 0.6 OUTLIER -46.5 -64.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.6 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.75 -129.18 1.11 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.46 1.1 . . . . 0.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.62 94.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 72.3 m -133.79 172.78 12.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 108.307 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.433 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 10.9 mt-10 -39.67 -73.73 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.113 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.433 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 3.8 mm-40 -134.9 -168.39 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 pttp -67.89 157.62 34.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 36' ' ' MET . 4.9 tp10 -114.48 109.17 17.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.54 ' HA ' HG22 ' A' ' 35' ' ' VAL . 0.9 OUTLIER -89.42 132.66 34.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.259 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -152.67 170.38 20.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.62 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -109.87 134.18 52.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.715 ' C ' HD23 ' A' ' 50' ' ' LEU . 1.9 m-30 -118.92 121.76 40.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.715 HD23 ' C ' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -110.06 109.35 19.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.623 HD23 ' NE2' ' A' ' 120' ' ' GLN . 8.7 tp -86.87 112.51 21.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.831 ' HE1' HG22 ' A' ' 28' ' ' VAL . 8.0 m-30 -96.44 -5.34 39.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.918 ' HA ' HD13 ' A' ' 124' ' ' LEU . 0.4 OUTLIER 84.06 -13.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.18 -2.92 6.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.958 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.591 HG11 HD13 ' A' ' 25' ' ' LEU . 7.5 p -176.23 150.15 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.857 HD13 ' O ' ' A' ' 56' ' ' LEU . 1.6 tm? -104.81 94.33 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.608 HG13 ' CE2' ' A' ' 52' ' ' PHE . 7.6 mm -77.4 138.08 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.678 ' O ' HD12 ' A' ' 59' ' ' LEU . 27.7 mtm -120.57 133.57 55.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.847 HD23 ' CB ' ' A' ' 68' ' ' PHE . 6.9 mp -122.24 155.89 34.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.3 p -148.73 127.72 12.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.97 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.77 95.99 8.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.47 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -78.93 -54.49 1.04 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.005 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.2 Cg_endo -75.0 -20.27 17.02 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.22 89.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.464 ' HA ' ' CE ' ' A' ' 65' ' ' MET . 2.6 tpt -178.98 167.76 1.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.6 m -39.74 119.15 0.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.004 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.51 170.66 18.19 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.847 ' CB ' HD23 ' A' ' 59' ' ' LEU . 5.9 m-85 -134.23 173.81 11.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 0.79 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 23.6 ttt -129.85 108.76 10.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.46 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 33.2 t80 -57.8 144.31 38.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -154.36 103.39 2.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.269 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.84 156.84 0.02 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -144.34 134.38 24.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.783 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.711 HD11 HD13 ' A' ' 104' ' ' ILE . 2.0 mt -106.64 114.21 62.14 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 133.27 16.31 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.466 1.772 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.429 HG12 ' N ' ' A' ' 55' ' ' VAL . 42.2 mm -47.46 -34.38 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.81 132.46 46.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.65 -3.75 40.59 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.406 ' CE ' ' HB ' ' A' ' 74' ' ' ILE . 19.9 ttm -63.75 140.67 58.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 0.783 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.5 t -120.7 107.93 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.234 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.65 HG21 HD22 ' A' ' 121' ' ' LEU . 3.2 t -130.32 152.65 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.5 p30 175.04 175.73 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.455 ' HE ' ' HE3' ' A' ' 118' ' ' MET . 0.1 OUTLIER -78.14 -0.03 26.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.716 HD21 ' HG2' ' A' ' 95' ' ' GLU . 83.7 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 26.5 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -173.59 176.93 2.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.544 ' CE1' ' HB ' ' A' ' 106' ' ' VAL . 6.2 p90 -146.92 158.38 43.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.716 ' HG2' HD21 ' A' ' 84' ' ' LEU . 19.1 pt-20 -118.51 167.39 11.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.302 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.8 mt -135.32 98.78 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.62 HG22 ' HA ' ' A' ' 103' ' ' ARG . 39.3 p -125.43 -175.51 3.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.402 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 124.05 135.34 4.46 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.8 t 70.49 -68.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 110.03 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.8 p -64.37 -142.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.2 p -144.55 -46.36 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.37 134.78 53.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.62 ' HA ' HG22 ' A' ' 97' ' ' THR . 38.0 ttp180 -95.05 127.44 41.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.711 HD13 HD11 ' A' ' 74' ' ' ILE . 1.5 mt -91.42 106.77 17.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 25.2 t -95.83 97.55 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.544 ' HB ' ' CE1' ' A' ' 94' ' ' PHE . 11.2 t -82.71 120.12 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -71.41 163.05 28.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.576 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.566 ' CB ' ' CD1' ' A' ' 114' ' ' PHE . 13.9 p -153.71 160.76 42.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 108.31 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -121.03 16.16 11.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.5 m120 61.8 90.1 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -157.61 175.8 13.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -33.0 68.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.32 -51.38 67.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.566 ' CD1' ' CB ' ' A' ' 108' ' ' CYS . 55.2 t80 -51.37 -55.51 18.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.585 1.178 . . . . 0.0 111.045 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.06 -51.19 64.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.343 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.92 -61.41 1.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.13 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.647 ' O ' HD12 ' A' ' 121' ' ' LEU . 47.5 m95 -42.78 -52.82 4.86 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.455 ' HE3' ' HE ' ' A' ' 83' ' ' ARG . 93.5 mmm -61.56 -42.43 98.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -61.95 1.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.623 ' NE2' HD23 ' A' ' 51' ' ' LEU . 10.7 pt20 -60.15 -55.55 32.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.65 HD22 HG21 ' A' ' 81' ' ' VAL . 6.5 mt -45.26 -30.21 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.16 -40.59 78.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.623 ' CG ' HD23 ' A' ' 124' ' ' LEU . 1.5 ptm180 -83.48 -30.42 27.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.918 HD13 ' HA ' ' A' ' 53' ' ' SER . 9.0 mt -67.4 -72.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 47.9 p -57.15 -61.42 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.373 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.6 mttp . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -96.83 160.3 29.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 160.0 40.55 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.569 HD13 HD21 ' A' ' 59' ' ' LEU . 16.1 mt -83.86 139.84 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -77.32 138.25 39.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 63.29 42.49 6.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.582 ' CZ2' HD12 ' A' ' 22' ' ' ILE . 73.8 t-105 -101.76 105.69 16.6 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -111.78 155.78 23.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 110.319 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.52 -84.69 0.25 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.533 1.146 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.35 -64.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.747 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.558 ' CB ' HG23 ' A' ' 24' ' ' THR . 0.7 OUTLIER -154.39 151.82 29.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.582 HD12 ' CZ2' ' A' ' 17' ' ' TRP . 7.7 tt -84.65 -25.6 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.74 -15.0 63.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.558 HG23 ' CB ' ' A' ' 21' ' ' ASP . 41.0 p -69.84 -33.45 72.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.487 HD13 HG11 ' A' ' 55' ' ' VAL . 68.2 mt -73.64 -74.98 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 174.48 -133.88 2.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -117.37 179.09 4.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.802 HG22 ' HE1' ' A' ' 52' ' ' PHE . 80.2 t -101.85 101.54 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.565 HD11 ' HB2' ' A' ' 53' ' ' SER . 42.3 mt -59.67 -78.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.498 ' N ' HG22 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -120.08 119.91 34.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.53 ' HE2' HD22 ' A' ' 50' ' ' LEU . 32.7 ttm -121.6 114.97 21.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.12 166.77 25.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -88.66 106.92 18.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.468 ' HB ' HG13 ' A' ' 106' ' ' VAL . 16.3 m -105.32 176.37 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.772 HG22 ' HG3' ' A' ' 46' ' ' GLU . 2.5 t -124.78 117.48 50.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.852 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.1 tmm? -139.4 120.83 15.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -122.94 171.76 8.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.39 179.02 4.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.583 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.8 91.85 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 111.04 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 62.76 145.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.324 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.6 t -173.3 -59.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 108.305 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -174.32 -82.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 110.245 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -139.98 -178.87 5.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -39.44 136.73 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 36' ' ' MET . 24.6 tt0 -112.68 92.59 4.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.772 ' HG3' HG22 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -70.39 147.55 49.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.86 177.91 8.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -119.8 131.24 55.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.962 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.676 ' HE2' HD12 ' A' ' 96' ' ' ILE . 1.9 m-30 -119.26 114.15 21.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.574 HD23 ' C ' ' A' ' 49' ' ' PHE . 0.8 OUTLIER -102.45 112.48 25.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.622 HD22 ' CZ3' ' A' ' 117' ' ' TRP . 6.6 tp -84.97 113.75 21.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.802 ' HE1' HG22 ' A' ' 28' ' ' VAL . 6.4 m-30 -101.74 6.29 41.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.845 ' HA ' HD13 ' A' ' 124' ' ' LEU . 8.4 t 65.61 50.56 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.024 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.6 OUTLIER 161.37 -22.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.541 HG21 ' HD3' ' A' ' 73' ' ' LYS . 2.8 p -151.71 140.05 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.763 HD12 HD12 ' A' ' 74' ' ' ILE . 2.3 tm? -101.84 95.01 6.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.607 HG13 ' CE2' ' A' ' 52' ' ' PHE . 14.1 mm -75.9 126.27 36.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.709 ' O ' HD12 ' A' ' 59' ' ' LEU . 39.5 mtm -109.48 137.04 47.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.709 HD12 ' O ' ' A' ' 58' ' ' MET . 4.3 mp -127.39 161.87 27.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.6 p -135.41 132.88 38.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.28 157.51 33.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.492 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.1 OUTLIER 176.21 -55.82 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.968 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.492 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.3 Cg_endo -75.02 118.84 5.41 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.454 1.766 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -78.98 84.68 4.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.7 ttp -176.83 -57.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.9 t -87.88 161.92 17.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.78 -110.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.481 ' CB ' HD23 ' A' ' 59' ' ' LEU . 14.1 m-85 -124.25 157.85 33.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 111.046 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.413 ' O ' ' HA ' ' A' ' 59' ' ' LEU . 5.5 ttt -114.93 130.66 56.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -90.28 128.79 36.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -104.24 -61.16 1.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -155.6 170.1 33.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.541 ' HD3' HG21 ' A' ' 55' ' ' VAL . 1.1 ptpt -137.33 133.99 35.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.754 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.763 HD12 HD12 ' A' ' 56' ' ' LEU . 4.0 mt -104.61 120.96 48.66 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 124.9 9.0 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.455 1.766 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.69 HD13 ' SD ' ' A' ' 79' ' ' MET . 21.3 mm -42.75 -35.94 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.86 121.73 9.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.1 -17.48 17.36 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.69 ' SD ' HD13 ' A' ' 76' ' ' ILE . 33.1 ttm -56.79 120.56 8.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.773 . . . . 0.0 110.949 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.6 t -105.1 106.89 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 1.066 HG21 HD22 ' A' ' 121' ' ' LEU . 7.2 t -111.67 150.03 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 30.0 p30 171.62 170.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 84' ' ' LEU . 11.5 ptt-85 -89.39 37.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 83' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 8.6 m . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 21.9 ptm -179.79 149.85 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -150.73 159.37 44.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.499 ' HG3' HG23 ' A' ' 97' ' ' THR . 6.3 pt-20 -104.19 155.31 18.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.676 HD12 ' HE2' ' A' ' 49' ' ' PHE . 45.1 mt -128.29 93.62 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.765 HG22 ' HA ' ' A' ' 103' ' ' ARG . 9.8 p -109.25 -174.92 2.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.411 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 125.14 84.97 0.59 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.66 -66.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 0.791 . . . . 0.0 109.96 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.494 ' C ' HG23 ' A' ' 101' ' ' VAL . 2.7 m -159.83 -63.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.392 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.57 ' O ' HG12 ' A' ' 101' ' ' VAL . 97.1 t -156.64 57.7 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.429 ' O ' ' HB ' ' A' ' 97' ' ' THR . 8.1 tt0 -129.77 142.34 50.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.765 ' HA ' HG22 ' A' ' 97' ' ' THR . 54.3 ttp180 -135.06 117.85 16.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.852 HG23 ' HG3' ' A' ' 36' ' ' MET . 10.6 mt -95.45 104.54 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 36.9 t -82.89 97.86 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.486 HG23 HG22 ' A' ' 104' ' ' ILE . 40.1 t -88.06 114.34 26.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -81.5 127.47 32.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.566 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 92.7 m -115.98 164.53 14.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 0.0 108.352 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -138.08 -49.04 0.55 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.53 161.43 27.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -102.95 -55.55 2.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -54.01 -56.63 16.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.11 -57.17 13.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -47.24 -52.87 14.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -47.04 -56.73 5.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -45.71 -59.82 2.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.622 ' CZ3' HD22 ' A' ' 51' ' ' LEU . 46.9 m95 -43.12 -54.76 4.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.027 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 94.6 mmm -57.18 -42.33 80.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -56.95 -69.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.572 ' OE1' HD23 ' A' ' 51' ' ' LEU . 1.8 pt20 -51.35 -56.55 12.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 1.066 HD22 HG21 ' A' ' 81' ' ' VAL . 5.9 mt -42.87 -53.7 4.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -45.68 -42.2 11.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.505 ' HG2' HD23 ' A' ' 124' ' ' LEU . 6.6 ttm180 -73.45 -59.06 2.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.845 HD13 ' HA ' ' A' ' 53' ' ' SER . 8.2 mt -46.86 -77.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.434 HG21 ' HB ' ' A' ' 81' ' ' VAL . 82.1 p -42.45 -69.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.387 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.9 tttt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -61.62 147.74 88.01 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.7 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.501 1.79 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.79 ' CD1' HD21 ' A' ' 59' ' ' LEU . 3.2 mt -107.11 148.51 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.716 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 7.9 tt0 -98.94 140.11 33.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 87.42 -16.99 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.477 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 27.6 t-105 -53.62 109.05 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 108.006 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -132.98 161.74 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.71 -135.02 21.32 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.82 151.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -87.47 166.92 14.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.477 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 7.0 tt -86.95 -35.77 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -51.15 -24.24 3.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.4 p -62.48 -35.21 78.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.381 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.71 -75.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.521 ' O ' ' CB ' ' A' ' 27' ' ' ASN . . . 64.38 154.08 0.11 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.509 1.131 . . . . 0.0 111.052 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.521 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 1.2 t30 83.91 129.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 0.749 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.788 HG22 ' CE1' ' A' ' 52' ' ' PHE . 53.5 t -130.14 93.08 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.748 HD11 ' HB2' ' A' ' 53' ' ' SER . 53.7 mt -42.54 -81.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.518 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.3 OUTLIER -122.65 129.45 51.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.79 ' HE3' HD22 ' A' ' 50' ' ' LEU . 32.5 ttm -132.13 115.68 16.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.5 t -149.01 171.54 16.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -88.5 105.47 17.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.344 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.405 ' HB ' HG13 ' A' ' 106' ' ' VAL . 25.9 m -105.79 166.1 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.479 HG23 ' HG2' ' A' ' 46' ' ' GLU . 1.4 t -114.43 110.08 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.787 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.2 tmm? -134.1 121.2 21.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -127.75 -178.33 4.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -88.43 -49.79 6.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.618 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 179.51 -116.04 0.5 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.13 . . . . 0.0 110.96 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.98 93.5 3.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.755 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.42 176.51 8.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 108.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -38.38 -85.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 44' ' ' LYS . 14.0 mt-10 -138.22 176.03 9.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.411 ' HD2' HG21 ' A' ' 35' ' ' VAL . 13.7 pttt -39.2 138.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 36' ' ' MET . 5.3 tp10 -101.92 96.12 6.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.479 ' HG2' HG23 ' A' ' 35' ' ' VAL . 1.6 mt-10 -79.11 134.28 36.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -148.94 170.52 18.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.486 ' CE2' ' CZ ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -114.21 119.84 38.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.766 ' C ' HD23 ' A' ' 50' ' ' LEU . 2.3 m-30 -106.74 122.51 46.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.822 HD11 HD22 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -110.17 109.96 20.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.57 HD22 ' CZ3' ' A' ' 117' ' ' TRP . 5.7 tp -86.13 108.11 18.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.788 ' CE1' HG22 ' A' ' 28' ' ' VAL . 8.6 m-30 -92.37 4.55 53.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.748 ' HB2' HD11 ' A' ' 29' ' ' ILE . 8.0 t 72.61 44.9 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.995 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 167.89 -26.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.985 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.423 HG21 ' HD3' ' A' ' 73' ' ' LYS . 9.2 p -143.81 145.87 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.683 HD13 ' O ' ' A' ' 56' ' ' LEU . 3.1 tm? -104.86 90.34 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.623 HG13 ' CE2' ' A' ' 52' ' ' PHE . 23.3 mm -76.7 126.48 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.735 ' O ' HD12 ' A' ' 59' ' ' LEU . 15.1 mtm -108.74 131.7 54.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.822 HD22 HD11 ' A' ' 50' ' ' LEU . 6.6 mp -124.98 158.41 33.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 p -149.2 129.31 13.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -98.91 97.6 8.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.471 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -73.02 -54.58 4.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.969 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.2 Cg_endo -74.95 127.47 10.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.1 83.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.251 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 30.4 ttp -169.68 -73.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 54.6 p -167.95 -176.36 3.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.98 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.48 156.55 13.48 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.566 ' CB ' HD23 ' A' ' 59' ' ' LEU . 34.0 m-85 -130.1 154.57 47.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -123.16 121.1 35.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.956 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -71.01 142.7 50.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -153.3 98.61 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.347 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.03 162.07 0.49 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.423 ' HD3' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -149.11 133.37 17.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 0.785 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.596 HD11 HD12 ' A' ' 104' ' ' ILE . 0.9 OUTLIER -108.59 114.01 59.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.471 ' O ' ' N ' ' A' ' 79' ' ' MET . 18.4 Cg_endo -75.01 135.16 18.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.452 HD13 ' SD ' ' A' ' 79' ' ' MET . 15.8 mm -50.62 -44.31 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.19 -52.52 64.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -82.26 4.41 77.01 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.461 1.1 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.507 ' HE1' ' HB ' ' A' ' 74' ' ' ILE . 17.5 ttm -85.16 160.3 19.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 32.3 t -142.71 107.04 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.596 HG21 HD22 ' A' ' 121' ' ' LEU . 6.0 t -117.88 130.57 72.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 -164.67 46.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.17 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 40.13 54.02 2.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.928 HD13 ' OE1' ' A' ' 95' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.7 mtp 50.66 -173.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -153.64 159.45 42.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.928 ' OE1' HD13 ' A' ' 84' ' ' LEU . 7.4 pt-20 -122.69 157.0 33.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.403 HD12 ' HE2' ' A' ' 49' ' ' PHE . 76.5 mt -123.48 98.11 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.813 HG22 ' HA ' ' A' ' 103' ' ' ARG . 47.8 p -111.87 -175.76 2.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 109.62 91.81 2.16 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.55 1.156 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 25.2 t -176.56 -59.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 110.023 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.68 -51.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.42 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.625 HG22 ' O ' ' A' ' 101' ' ' VAL . 2.7 p -176.09 55.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -136.47 142.4 43.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.813 ' HA ' HG22 ' A' ' 97' ' ' THR . 19.8 ttp-105 -129.29 119.38 23.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.787 HG23 ' HG3' ' A' ' 36' ' ' MET . 3.2 mt -92.52 110.98 23.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.1 t -93.82 98.15 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.405 HG13 ' HB ' ' A' ' 34' ' ' VAL . 17.7 t -82.39 123.69 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -86.36 165.16 16.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.588 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.58 174.29 7.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 108.294 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -121.55 15.73 11.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 62.04 117.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 178.91 -179.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -31.58 39.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.256 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.416 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 1.2 m-20 -62.11 -59.6 4.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -48.79 -64.5 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -41.2 -41.8 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.425 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -60.9 -59.0 6.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.291 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.779 ' O ' HD12 ' A' ' 121' ' ' LEU . 46.8 m95 -49.8 -44.49 49.1 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -38.24 90.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.09 -69.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.48 ' NE2' HD23 ' A' ' 51' ' ' LEU . 6.7 pt20 -45.38 -57.12 4.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.779 HD12 ' O ' ' A' ' 117' ' ' TRP . 10.7 mt -47.14 -48.43 23.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.64 -29.13 58.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 120' ' ' GLN . 21.6 ttt180 -86.4 -59.16 2.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.608 HD13 ' HA ' ' A' ' 53' ' ' SER . 13.6 mt -45.17 -71.46 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.473 HG21 ' HB ' ' A' ' 81' ' ' VAL . 49.2 p -52.94 -55.6 22.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.415 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.365 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -94.85 162.28 25.77 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -173.45 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.472 1.775 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.83 ' CD1' HD21 ' A' ' 59' ' ' LEU . 3.7 mt -83.31 154.7 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.552 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 5.1 tt0 -105.05 126.82 52.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 74.59 20.36 2.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.568 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 39.4 t-105 -44.27 -76.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 73.27 103.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.29 -147.44 12.78 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.133 . . . . 0.0 111.062 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.4 -57.41 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.862 ' O ' HG22 ' A' ' 24' ' ' THR . 0.9 OUTLIER -159.68 142.1 13.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.568 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 10.5 tt -82.45 -27.69 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.72 -2.95 52.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.862 HG22 ' O ' ' A' ' 21' ' ' ASP . 1.9 t -92.21 -26.65 18.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.4 mt -68.27 -79.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -175.61 139.9 4.92 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.562 1.164 . . . . 0.0 111.043 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -44.94 156.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 109.312 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.792 HG22 ' CE1' ' A' ' 52' ' ' PHE . 92.3 t -83.72 100.93 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.583 HD11 ' HB3' ' A' ' 53' ' ' SER . 34.7 mt -55.97 -75.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.59 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.3 OUTLIER -122.93 121.51 36.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.974 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.73 ' HE2' HD22 ' A' ' 50' ' ' LEU . 32.5 ttm -124.15 121.31 34.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.24 163.08 33.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -80.69 109.83 15.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.4 m -105.23 175.47 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.535 HG22 ' HG3' ' A' ' 46' ' ' GLU . 1.8 t -124.6 107.91 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.845 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.3 tmm? -132.07 121.87 24.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.044 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.48 ' CB ' ' HB3' ' A' ' 45' ' ' GLU . 3.4 tm0? -131.96 173.78 10.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.0 -50.22 67.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.556 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -147.14 -81.26 0.04 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.469 1.105 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -141.74 -48.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.588 0.817 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 46.27 -166.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 108.291 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.497 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 1.8 mt-10 -49.18 -53.71 19.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.497 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 3.6 mm-40 -142.7 -169.65 3.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -77.33 168.82 19.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 36' ' ' MET . 5.4 tp10 -120.33 102.16 8.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.535 ' HG3' HG22 ' A' ' 35' ' ' VAL . 19.4 mt-10 -79.84 145.61 32.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.442 ' NH2' ' OE1' ' A' ' 71' ' ' GLN . 0.2 OUTLIER -162.71 177.76 9.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -117.16 130.46 56.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.672 ' C ' HD23 ' A' ' 50' ' ' LEU . 1.8 m-30 -119.42 118.76 31.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.73 HD22 ' HE2' ' A' ' 31' ' ' MET . 0.4 OUTLIER -109.13 111.85 23.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.621 HD23 ' OE1' ' A' ' 120' ' ' GLN . 4.9 tp -88.01 118.03 27.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.792 ' CE1' HG22 ' A' ' 28' ' ' VAL . 7.4 m-30 -101.72 4.32 40.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.851 ' HA ' HD13 ' A' ' 124' ' ' LEU . 1.5 p 73.17 44.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.3 OUTLIER 166.41 -26.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.97 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.443 HG21 ' HE3' ' A' ' 73' ' ' LYS . 3.1 p -143.87 143.72 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.793 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.2 tm? -104.88 94.36 5.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.577 1.173 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.599 HG13 ' CE2' ' A' ' 52' ' ' PHE . 9.9 mm -76.31 131.28 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.362 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.578 ' O ' HD12 ' A' ' 59' ' ' LEU . 41.1 mtm -118.82 130.95 56.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.83 HD21 ' CD1' ' A' ' 14' ' ' ILE . 1.7 mp -119.9 157.71 28.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.9 t -119.02 148.96 42.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.49 131.12 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.04 172.12 7.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.993 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 64.01 6.01 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.428 1.752 . . . . 0.0 111.031 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.82 172.01 18.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.302 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.521 ' O ' ' CB ' ' A' ' 66' ' ' SER . 4.0 ttp -74.48 111.01 9.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 65' ' ' MET . 2.6 t 157.82 132.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.005 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.96 -122.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.695 ' HD2' HD23 ' A' ' 59' ' ' LEU . 14.5 m-30 -107.67 148.27 29.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 15.6 ttt -121.77 121.38 37.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 111.003 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' GLN . 24.1 t80 -73.2 119.45 17.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.442 ' OE1' ' NH2' ' A' ' 47' ' ' ARG . 7.6 mm-40 -94.22 -62.16 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.42 ' O ' ' CE ' ' A' ' 58' ' ' MET . . . -155.13 167.71 32.88 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.443 ' HE3' HG21 ' A' ' 55' ' ' VAL . 1.3 pttt -132.13 132.4 43.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.563 HG22 ' HE3' ' A' ' 79' ' ' MET . 8.8 mt -106.12 116.22 59.85 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 125.32 9.22 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.553 1.817 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.804 HD13 ' SD ' ' A' ' 79' ' ' MET . 10.9 mm -51.32 -24.8 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.94 -64.63 0.87 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.453 ' O ' ' CA ' ' A' ' 98' ' ' GLY . . . -84.15 12.09 55.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.804 ' SD ' HD13 ' A' ' 76' ' ' ILE . 42.6 ttm -86.04 147.71 26.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 0.743 . . . . 0.0 110.959 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.5 t -137.88 107.84 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.449 HG22 HG12 ' A' ' 96' ' ' ILE . 5.4 t -117.88 151.77 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 22.6 p30 176.54 162.86 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.272 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' LEU . 1.1 ttt180 -73.62 57.8 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 84' ' ' LEU . 4.5 mm? . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.497 ' HA ' ' CE2' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -138.94 162.35 35.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.422 ' HE1' HD11 ' A' ' 96' ' ' ILE . 32.7 p90 -130.58 176.61 8.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.476 ' OE1' ' CD ' ' A' ' 103' ' ' ARG . 8.3 pt-20 -128.84 150.09 50.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.449 HG12 HG22 ' A' ' 81' ' ' VAL . 37.0 mt -124.26 91.91 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.867 HG22 ' HA ' ' A' ' 103' ' ' ARG . 46.6 p -103.89 -175.68 2.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.453 ' CA ' ' O ' ' A' ' 78' ' ' GLY . . . 149.17 45.31 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.12 -167.99 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 110.06 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.583 HG22 HG23 ' A' ' 101' ' ' VAL . 6.3 m -58.35 -56.33 23.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.583 HG23 HG22 ' A' ' 100' ' ' THR . 98.1 t -155.79 65.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -126.27 145.95 50.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.867 ' HA ' HG22 ' A' ' 97' ' ' THR . 20.7 ttm105 -145.81 134.28 21.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.845 HG23 ' HG3' ' A' ' 36' ' ' MET . 5.4 mt -114.66 107.46 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 42.2 t -89.92 97.75 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.3 t -87.34 121.88 38.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -76.45 155.13 34.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.63 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.442 ' CB ' ' HB2' ' A' ' 114' ' ' PHE . 28.4 p -95.83 124.83 40.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 108.237 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -54.05 -53.03 58.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -140.87 -57.16 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.2 t30 177.39 -48.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -60.93 -61.28 2.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 112' ' ' GLN . 0.8 OUTLIER -40.26 -63.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 115' ' ' GLN . 0.9 OUTLIER -51.29 -54.38 26.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 111.006 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.5 ' N ' ' CD1' ' A' ' 114' ' ' PHE . 0.7 OUTLIER -37.24 -72.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -45.64 -58.97 3.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.61 ' HZ3' HD13 ' A' ' 51' ' ' LEU . 26.0 m95 -43.21 -68.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 108.03 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.409 ' HG3' ' N ' ' A' ' 119' ' ' GLU . 0.7 OUTLIER -54.75 -19.37 6.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 116' ' ' GLU . 0.8 OUTLIER -75.62 -70.66 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.272 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.621 ' OE1' HD23 ' A' ' 51' ' ' LEU . 8.0 pt20 -47.01 -54.4 10.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 117' ' ' TRP . 5.5 mt -44.08 -52.02 7.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -48.56 -34.99 12.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 120' ' ' GLN . 28.4 ttt180 -83.06 -58.39 2.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.851 HD13 ' HA ' ' A' ' 53' ' ' SER . 9.5 mt -46.52 -56.91 5.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 121' ' ' LEU . 26.4 p -68.29 -63.94 0.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.373 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.454 ' N ' ' OG1' ' A' ' 125' ' ' THR . 4.2 tttt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -146.4 160.05 43.21 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 151.17 39.29 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.451 1.763 . . . . 0.0 111.035 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.862 HD13 HD21 ' A' ' 59' ' ' LEU . 6.0 mt -79.0 126.93 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.708 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 4.0 tt0 -60.86 139.33 58.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 85.57 -38.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.537 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 33.8 t-105 -40.19 114.32 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 107.993 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -64.36 -175.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 20' ' ' ASP . . . -51.87 -43.23 54.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.115 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 19' ' ' GLY . 7.0 m-20 -38.79 136.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.544 ' HB3' HG23 ' A' ' 24' ' ' THR . 2.0 m-20 -84.56 151.91 24.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.537 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 12.4 tt -93.91 -19.58 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -74.83 -2.94 28.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.544 HG23 ' HB3' ' A' ' 21' ' ' ASP . 56.2 p -85.39 -27.61 25.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.348 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.484 HD13 HG11 ' A' ' 55' ' ' VAL . 74.9 mt -75.31 -66.0 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.153 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 163.71 -141.75 7.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.105 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.48 173.36 6.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 0.752 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.825 HG22 ' HE1' ' A' ' 52' ' ' PHE . 69.6 t -95.7 104.2 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.726 HD11 ' HB3' ' A' ' 53' ' ' SER . 67.0 mt -57.83 -77.51 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.584 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -129.56 123.66 31.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.499 ' HB2' HD22 ' A' ' 50' ' ' LEU . 16.9 ptm -126.84 133.45 50.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.4 t -160.81 166.85 27.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 109.945 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -86.05 104.83 16.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.253 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.7 m -105.25 179.34 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.612 HG21 ' HD3' ' A' ' 44' ' ' LYS . 2.0 t -130.05 117.5 40.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.465 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.7 tmm? -139.64 122.28 16.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.448 ' OE1' ' N ' ' A' ' 38' ' ' HIS . 23.9 tm0? -122.81 -73.65 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.448 ' N ' ' OE1' ' A' ' 37' ' ' GLN . 51.5 t60 65.19 151.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.617 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 64.66 107.02 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.519 1.137 . . . . 0.0 111.043 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 41' ' ' CYS . . . 45.25 85.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 0.761 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 42' ' ' GLU . 30.2 p -54.86 -171.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 108.333 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER 163.8 -44.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.446 ' CG ' ' C ' ' A' ' 42' ' ' GLU . 7.1 mt-10 -154.76 176.86 11.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 110.232 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.612 ' HD3' HG21 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -90.11 102.21 14.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.235 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 36' ' ' MET . 0.6 OUTLIER -75.48 94.19 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.563 ' HG3' HG22 ' A' ' 35' ' ' VAL . 11.4 mt-10 -74.69 147.54 41.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.43 174.23 13.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -120.04 110.67 16.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 111.062 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.596 ' C ' HD23 ' A' ' 50' ' ' LEU . 3.2 m-30 -99.17 125.2 44.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.909 HD11 HD22 ' A' ' 59' ' ' LEU . 1.3 mt -115.36 110.57 19.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.558 HD21 HD12 ' A' ' 124' ' ' LEU . 6.1 tp -85.86 115.69 23.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.825 ' HE1' HG22 ' A' ' 28' ' ' VAL . 7.3 m-30 -99.63 4.2 45.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.726 ' HB3' HD11 ' A' ' 29' ' ' ILE . 1.1 p 74.08 40.76 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.959 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.08 -30.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.954 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.484 HG11 HD13 ' A' ' 25' ' ' LEU . 8.8 p -142.43 155.82 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.814 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.0 tm? -111.25 93.69 4.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.611 HG13 ' CE2' ' A' ' 52' ' ' PHE . 11.8 mm -77.12 130.29 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.647 ' O ' HD12 ' A' ' 59' ' ' LEU . 31.9 mtm -115.16 130.13 56.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.909 HD22 HD11 ' A' ' 50' ' ' LEU . 3.9 mp -120.43 159.92 24.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 57.4 m -137.99 148.87 45.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.996 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -125.11 66.2 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.481 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.3 OUTLIER -79.16 -55.23 0.94 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.992 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.4 Cg_endo -75.03 131.26 14.05 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.499 1.789 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.51 ' O ' ' C ' ' A' ' 65' ' ' MET . 17.3 ttt180 -55.9 144.91 26.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.51 ' C ' ' O ' ' A' ' 64' ' ' ARG . 2.8 ptm 28.47 62.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.0 t -138.76 52.47 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.98 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 39.53 -144.88 0.32 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.125 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.71 ' CD2' HD23 ' A' ' 59' ' ' LEU . 19.6 m-30 -115.99 154.84 29.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 16.1 ttt -118.4 116.63 27.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.475 ' CD1' ' CZ3' ' A' ' 17' ' ' TRP . 60.5 t80 -71.83 111.18 6.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -83.07 -74.17 0.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -143.99 177.85 22.41 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.523 1.14 . . . . 0.0 111.0 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.475 ' HD3' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -137.77 138.87 39.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.597 HG22 ' HE2' ' A' ' 79' ' ' MET . 8.4 mt -119.59 122.89 28.94 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 127.72 10.91 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.47 1.774 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.833 HD13 ' SD ' ' A' ' 79' ' ' MET . 23.4 mm -55.12 -26.38 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.42 -72.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.02 -17.23 69.52 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.11 . . . . 0.0 111.06 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.833 ' SD ' HD13 ' A' ' 76' ' ' ILE . 28.5 ttm -55.86 154.79 6.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 0.753 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.6 t -142.58 107.09 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.898 HG21 HD22 ' A' ' 121' ' ' LEU . 5.3 t -111.57 126.71 68.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 81' ' ' VAL . 68.8 m-20 -149.34 174.71 12.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.8 mtt85 -89.47 29.1 1.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.773 HD11 ' CG ' ' A' ' 95' ' ' GLU . 1.4 mp . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.8 mtp -105.14 -170.85 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -150.43 164.48 35.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.773 ' CG ' HD11 ' A' ' 84' ' ' LEU . 9.1 pt-20 -126.34 156.46 40.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.418 HG23 ' HG3' ' A' ' 79' ' ' MET . 71.7 mt -121.35 98.55 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.998 HG22 ' HA ' ' A' ' 103' ' ' ARG . 43.3 p -109.32 -175.89 2.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 110.411 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.37 -48.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.07 -176.3 3.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 0.771 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.5 t -86.05 48.22 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.452 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.2 p -174.08 -42.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -49.34 153.33 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.241 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.998 ' HA ' HG22 ' A' ' 97' ' ' THR . 39.2 ttt180 -178.52 104.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.546 ' O ' HG22 ' A' ' 104' ' ' ILE . 0.9 OUTLIER -103.86 104.26 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.4 t -86.97 98.75 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.0 t -85.27 126.55 40.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -82.18 130.25 35.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.557 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 31.9 p -44.09 151.06 0.25 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 108.291 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.92 -59.49 1.97 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -157.66 -59.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.8 t30 178.24 -62.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -61.47 2.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -46.56 -63.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.484 ' CE1' ' HG3' ' A' ' 118' ' ' MET . 25.0 t80 -43.37 -57.37 3.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -42.73 -60.08 1.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.318 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -45.33 -59.24 2.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.623 ' HE3' HD11 ' A' ' 121' ' ' LEU . 62.4 m95 -46.5 -46.78 19.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 108.02 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.484 ' HG3' ' CE1' ' A' ' 114' ' ' PHE . 99.1 mmm -68.59 -27.86 66.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.987 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 116' ' ' GLU . 1.0 OUTLIER -75.0 -51.2 14.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.505 ' O ' ' CG ' ' A' ' 123' ' ' ARG . 1.4 pt20 -65.65 -59.42 3.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.898 HD22 HG21 ' A' ' 81' ' ' VAL . 7.6 mt -49.03 -23.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.4 OUTLIER -64.73 -28.36 69.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.691 ' HG3' HD23 ' A' ' 124' ' ' LEU . 3.1 ptt180 -104.74 -31.54 9.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.691 HD23 ' HG3' ' A' ' 123' ' ' ARG . 9.0 mt -65.9 -64.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.522 HG22 HG23 ' A' ' 76' ' ' ILE . 43.2 p -78.35 -44.19 25.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.434 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' SER . 10.2 mt-10 -38.5 157.35 0.11 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 144.59 30.36 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.789 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.901 ' CD1' HD21 ' A' ' 59' ' ' LEU . 5.6 mt -65.8 117.94 7.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.667 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -57.84 154.56 11.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 81.83 -44.7 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.592 ' CH2' ' CD1' ' A' ' 22' ' ' ILE . 22.4 t-105 -37.08 136.17 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 108.022 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -163.65 147.59 10.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.51 137.91 0.14 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.432 1.083 . . . . 0.0 111.03 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 53.35 173.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.77 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -105.37 170.09 8.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.592 ' CD1' ' CH2' ' A' ' 17' ' ' TRP . 11.1 tt -96.02 -28.35 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -68.05 -15.59 63.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.4 p -75.55 -28.88 59.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.361 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.523 HD13 HG11 ' A' ' 55' ' ' VAL . 93.2 mt -71.17 -78.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.62 165.39 21.8 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.406 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 10.2 p-10 -54.37 -179.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.77 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.894 HG22 ' CE1' ' A' ' 52' ' ' PHE . 97.2 t -104.33 105.42 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.592 HG22 ' N ' ' A' ' 30' ' ' PHE . 16.6 mt -52.69 -77.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.592 ' N ' HG22 ' A' ' 29' ' ' ILE . 3.4 t80 -136.42 129.73 31.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 111.035 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.473 ' HB2' HD22 ' A' ' 50' ' ' LEU . 4.8 ptm -128.59 137.36 51.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.41 ' O ' HG13 ' A' ' 34' ' ' VAL . 4.6 p -161.84 152.63 17.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -68.49 107.31 2.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.428 ' HB ' HG13 ' A' ' 106' ' ' VAL . 17.4 m -107.04 175.51 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.585 HG22 ' HG3' ' A' ' 46' ' ' GLU . 2.1 t -126.2 108.61 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.781 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.7 tmm? -131.55 124.03 29.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -123.37 -173.72 2.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -173.47 -49.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.593 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.96 -27.35 10.35 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 62.54 152.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 0.772 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.3 t -150.62 -74.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 108.332 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.54 -58.69 1.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 44' ' ' LYS . 8.4 mt-10 -149.62 -166.2 2.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 43' ' ' GLU . 13.5 mttt -39.15 157.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 36' ' ' MET . 37.1 mm-40 -113.43 91.68 3.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.585 ' HG3' HG22 ' A' ' 35' ' ' VAL . 15.5 mt-10 -74.43 144.32 44.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.241 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -162.35 169.45 20.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -111.95 124.46 52.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.588 ' HZ ' HD13 ' A' ' 104' ' ' ILE . 1.8 m-30 -113.18 111.32 21.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.054 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.564 ' N ' HD23 ' A' ' 50' ' ' LEU . 1.8 mt -100.34 107.72 19.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.368 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.556 ' HB2' ' CZ3' ' A' ' 117' ' ' TRP . 7.5 tp -85.02 113.61 21.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.894 ' CE1' HG22 ' A' ' 28' ' ' VAL . 7.2 m-30 -95.7 -3.84 45.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.755 ' HA ' HD13 ' A' ' 124' ' ' LEU . 0.4 OUTLIER 83.92 -13.18 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.979 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.02 -8.3 8.3 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.523 HG11 HD13 ' A' ' 25' ' ' LEU . 2.6 p -175.05 153.05 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.883 HD13 ' O ' ' A' ' 56' ' ' LEU . 1.3 tm? -102.42 96.99 7.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.587 HG13 ' CE2' ' A' ' 52' ' ' PHE . 15.0 mm -77.12 139.16 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.699 ' O ' HD12 ' A' ' 59' ' ' LEU . 17.3 mtm -120.19 137.14 54.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.901 HD21 ' CD1' ' A' ' 14' ' ' ILE . 10.0 mp -126.76 158.53 36.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.3 t -140.61 152.14 45.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -141.65 78.59 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.479 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -64.78 -52.81 48.16 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 110.004 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 62' ' ' SER . 18.2 Cg_endo -75.01 -174.04 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.785 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -62.52 162.23 10.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.414 ' O ' ' HG3' ' A' ' 65' ' ' MET . 5.1 ptm -47.89 113.53 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.2 t 179.93 85.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.72 -171.22 41.76 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.813 ' CB ' HD23 ' A' ' 59' ' ' LEU . 8.9 m-85 -136.44 174.96 10.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 6.4 ttt -135.27 108.75 7.88 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.492 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 66.4 t80 -56.06 133.28 51.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -135.74 92.96 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 59.03 169.26 0.25 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -151.34 136.36 17.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.735 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.827 HD12 HD12 ' A' ' 56' ' ' LEU . 10.0 mt -100.23 124.8 41.85 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 136.52 20.46 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.778 HD13 ' SD ' ' A' ' 79' ' ' MET . 14.5 mm -61.31 -26.0 38.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.51 -77.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -82.79 42.59 2.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.778 ' SD ' HD13 ' A' ' 76' ' ' ILE . 10.3 ttm -98.66 111.15 23.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.744 . . . . 0.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.2 t -102.03 107.34 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.776 HG21 HD22 ' A' ' 121' ' ' LEU . 4.0 t -116.29 132.8 64.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -151.36 160.49 43.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -90.91 25.47 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.548 HD13 ' OE1' ' A' ' 95' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.51 ' O ' ' CG ' ' A' ' 93' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.51 ' CG ' ' O ' ' A' ' 92' ' ' CYS . 19.6 ptm 44.08 -170.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -166.08 160.2 16.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.669 ' HG2' HG23 ' A' ' 97' ' ' THR . 0.7 OUTLIER -119.02 163.57 16.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 110.225 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.51 HG22 HD13 ' A' ' 74' ' ' ILE . 48.4 mt -130.27 96.37 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.984 HG22 ' HA ' ' A' ' 103' ' ' ARG . 60.8 p -116.36 -175.92 2.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -161.92 -42.97 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.57 -168.09 1.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 0.736 . . . . 0.0 110.001 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.443 ' C ' HG23 ' A' ' 101' ' ' VAL . 12.9 t -93.31 35.12 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.443 HG23 ' C ' ' A' ' 100' ' ' THR . 47.9 t -153.11 -45.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -63.83 139.77 58.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.984 ' HA ' HG22 ' A' ' 97' ' ' THR . 49.0 ttp180 -167.5 111.84 0.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.781 HG23 ' HG3' ' A' ' 36' ' ' MET . 4.2 mt -111.79 121.54 64.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.426 ' O ' HG12 ' A' ' 105' ' ' VAL . 4.1 t -99.77 97.63 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.428 HG13 ' HB ' ' A' ' 34' ' ' VAL . 17.1 t -87.57 114.72 26.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -77.07 142.58 39.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.603 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.538 ' CB ' ' CD1' ' A' ' 114' ' ' PHE . 21.5 p -119.18 173.98 6.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 108.319 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -128.62 11.45 6.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 57.8 t30 55.05 100.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -172.46 178.82 2.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.43 -25.76 62.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.256 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.51 -55.5 8.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.538 ' CD1' ' CB ' ' A' ' 108' ' ' CYS . 67.3 t80 -47.53 -58.76 3.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -40.67 -61.07 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.342 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -39.08 -66.37 0.29 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 110.274 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.586 ' C ' HD12 ' A' ' 121' ' ' LEU . 47.0 m95 -40.03 -56.09 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 108.023 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.04 -44.13 82.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.415 ' CG ' ' N ' ' A' ' 120' ' ' GLN . 1.5 tt0 -54.57 -67.71 0.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.505 ' OE1' ' CG2' ' A' ' 29' ' ' ILE . 8.8 pt20 -53.98 -57.6 10.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.776 HD22 HG21 ' A' ' 81' ' ' VAL . 7.1 mt -42.72 -36.33 1.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -65.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.5 ' CG ' ' N ' ' A' ' 124' ' ' LEU . 1.1 ptm180 -61.37 -41.47 97.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.251 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.755 HD13 ' HA ' ' A' ' 53' ' ' SER . 6.6 mt -52.1 -83.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 72.4 p -45.58 -34.79 3.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 0.0 110.393 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -76.81 152.95 83.05 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 170.5 20.28 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.546 HD13 HD21 ' A' ' 59' ' ' LEU . 4.3 mt -88.89 150.23 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.606 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 5.8 tt0 -90.8 133.07 35.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 77.14 16.61 1.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.757 ' CH2' HD12 ' A' ' 22' ' ' ILE . 73.5 t-105 -77.93 112.16 14.53 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -59.92 -177.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.85 -169.96 0.26 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.566 1.166 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 61.11 118.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.529 ' CB ' HG23 ' A' ' 24' ' ' THR . 0.4 OUTLIER -55.95 155.23 6.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.757 HD12 ' CH2' ' A' ' 17' ' ' TRP . 13.1 tt -82.37 -32.14 10.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -23.19 62.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.529 HG23 ' CB ' ' A' ' 21' ' ' ASP . 20.8 p -67.41 -28.46 67.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.433 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.93 -65.81 0.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.17 -149.95 17.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -101.68 -174.11 2.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 0.775 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.858 HG22 ' CE1' ' A' ' 52' ' ' PHE . 79.2 t -111.4 95.85 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.66 HD11 ' HB2' ' A' ' 53' ' ' SER . 55.5 mt -49.25 -78.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.571 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -123.67 121.07 34.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.965 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.898 ' HE2' HD22 ' A' ' 50' ' ' LEU . 32.1 ttm -123.67 123.96 41.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.2 t -158.88 164.39 35.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -81.49 109.0 15.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.479 ' HB ' HG13 ' A' ' 106' ' ' VAL . 16.8 m -105.05 172.8 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.548 HG22 ' HG3' ' A' ' 46' ' ' GLU . 2.2 t -122.8 116.63 49.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.637 ' O ' ' CB ' ' A' ' 37' ' ' GLN . 1.6 tmm? -140.63 123.66 16.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.637 ' CB ' ' O ' ' A' ' 36' ' ' MET . 4.0 tp-100 97.74 159.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -171.95 158.51 4.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.592 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.62 -174.93 47.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.78 72.61 8.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.7 t -127.98 -53.92 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 108.298 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.416 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 2.4 mt-10 -166.27 -79.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.416 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 5.2 mm-40 -141.16 -169.85 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -42.93 163.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.514 ' CB ' ' HB3' ' A' ' 37' ' ' GLN . 68.6 mm-40 -104.65 86.8 2.55 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.548 ' HG3' HG22 ' A' ' 35' ' ' VAL . 11.4 mt-10 -71.55 148.65 46.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.54 174.44 13.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.416 ' O ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -117.18 128.03 54.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.648 ' C ' HD23 ' A' ' 50' ' ' LEU . 2.8 m-30 -117.55 119.86 36.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.898 HD22 ' HE2' ' A' ' 31' ' ' MET . 0.3 OUTLIER -107.9 111.81 24.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.595 HD21 HD12 ' A' ' 124' ' ' LEU . 6.2 tp -86.94 110.21 19.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.858 ' CE1' HG22 ' A' ' 28' ' ' VAL . 6.8 m-30 -98.6 7.03 46.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.66 ' HB2' HD11 ' A' ' 29' ' ' ILE . 4.5 t 65.44 48.55 2.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.152 . . . . 0.0 110.034 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.415 ' N ' HG13 ' A' ' 76' ' ' ILE . 0.3 OUTLIER 167.02 -26.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.034 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.7 p -149.86 142.49 17.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.78 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.2 tm? -101.59 94.06 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.608 HG13 ' CE2' ' A' ' 52' ' ' PHE . 11.6 mm -76.73 127.44 37.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.585 ' O ' HD12 ' A' ' 59' ' ' LEU . 35.8 mtm -112.61 135.74 52.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.717 HD22 HD11 ' A' ' 50' ' ' LEU . 1.6 mp -121.32 162.13 20.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 69' ' ' MET . 0.7 OUTLIER -140.41 123.37 16.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.984 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.65 158.99 18.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.481 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.1 OUTLIER 173.99 -54.91 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.2 Cg_endo -75.07 -171.49 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.542 1.812 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -128.31 152.17 48.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.301 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.4 tpt 59.7 85.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.3 p 168.32 -31.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.86 -115.92 5.44 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.454 1.097 . . . . 0.0 110.975 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -122.36 158.56 29.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 60' ' ' SER . 5.9 ttt -120.07 130.14 54.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -85.45 148.27 26.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -121.69 -72.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 110.288 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -137.7 168.82 24.36 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.145 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -138.29 130.08 28.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 0.0 109.361 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.564 HD11 HD12 ' A' ' 104' ' ' ILE . 14.1 mt -108.51 122.07 41.43 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 129.24 12.15 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.485 1.781 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.812 HD13 ' SD ' ' A' ' 79' ' ' MET . 29.0 mm -54.45 -25.41 14.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.13 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.67 -66.49 0.46 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.435 ' O ' ' CA ' ' A' ' 98' ' ' GLY . . . -84.23 15.41 39.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.812 ' SD ' HD13 ' A' ' 76' ' ' ILE . 22.3 ttm -83.3 143.78 30.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 111.05 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.3 t -125.65 107.98 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.654 HG21 HD22 ' A' ' 121' ' ' LEU . 9.6 t -106.65 139.08 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 84' ' ' LEU . 21.3 m-20 179.78 132.42 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 84' ' ' LEU . 1.7 ptp85 -69.97 57.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.433 HD21 ' HB3' ' A' ' 95' ' ' GLU . 4.0 mm? . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.44 ' O ' ' CE1' ' A' ' 114' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.417 ' O ' ' HA ' ' A' ' 83' ' ' ARG . 2.0 ptm -141.22 162.89 34.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -132.24 169.34 16.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.477 ' OE1' ' CD ' ' A' ' 103' ' ' ARG . 6.3 pt-20 -122.62 141.05 52.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 74.3 mt -110.9 100.87 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.698 HG22 ' HA ' ' A' ' 103' ' ' ARG . 52.5 p -123.77 -175.87 3.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.384 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.435 ' CA ' ' O ' ' A' ' 78' ' ' GLY . . . 178.56 -79.87 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.2 -19.27 13.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.028 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.457 HG22 ' H ' ' A' ' 101' ' ' VAL . 49.3 m -90.37 172.37 8.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.368 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.457 ' H ' HG22 ' A' ' 100' ' ' THR . 11.2 m -116.35 -31.66 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.432 ' H ' HG22 ' A' ' 100' ' ' THR . 14.2 tp10 -38.48 -38.8 0.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.698 ' HA ' HG22 ' A' ' 97' ' ' THR . 27.9 ttp180 63.72 127.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.564 HD12 HD11 ' A' ' 74' ' ' ILE . 2.3 mt -95.63 109.21 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.438 HG23 ' NE ' ' A' ' 103' ' ' ARG . 50.1 t -96.47 98.35 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.479 HG13 ' HB ' ' A' ' 34' ' ' VAL . 10.5 t -86.46 117.9 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -70.33 148.83 48.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.626 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.514 ' SG ' ' CG ' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -47.78 108.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 108.346 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -41.3 -49.94 3.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -170.78 -66.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -170.69 -70.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.06 -55.93 7.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 1.3 m-20 -48.39 -52.42 21.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.514 ' CG ' ' SG ' ' A' ' 108' ' ' CYS . 12.4 t80 -48.8 -59.01 3.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.12 -46.25 11.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -52.27 -58.7 5.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.295 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.845 ' O ' HD12 ' A' ' 121' ' ' LEU . 54.6 m95 -45.64 -43.51 12.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 107.952 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.411 ' O ' ' HB2' ' A' ' 122' ' ' ASN . 0.0 OUTLIER -65.75 -35.57 81.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 111.028 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 122' ' ' ASN . 0.0 OUTLIER -65.87 -64.0 0.96 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.505 ' O ' ' N ' ' A' ' 123' ' ' ARG . 0.3 OUTLIER -50.01 -58.42 5.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 110.262 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.845 HD12 ' O ' ' A' ' 117' ' ' TRP . 6.5 mt -50.57 -22.67 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 119' ' ' GLU . 1.2 t-20 -72.45 -27.78 62.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.718 ' NH1' HD21 ' A' ' 124' ' ' LEU . 4.2 ptm180 -105.31 -33.82 8.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.34 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.718 HD21 ' NH1' ' A' ' 123' ' ' ARG . 19.7 mt -59.12 -77.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.43 ' HA ' ' CG2' ' A' ' 76' ' ' ILE . 70.8 p -48.15 -30.02 4.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.369 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -166.37 -58.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 110.04 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 p -145.45 163.84 33.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.52 168.99 24.35 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.11 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.8 m -166.51 147.93 6.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 110.038 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 p -46.36 153.58 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.977 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.99 -162.82 5.97 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.426 ' C ' ' N ' ' A' ' 10' ' ' LEU . 13.1 mp0 69.88 -61.77 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 110.274 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.452 HG22 ' HG ' ' A' ' 10' ' ' LEU . 1.8 tt -43.75 -27.54 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.452 ' HG ' HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -124.98 54.16 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.75 -48.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -118.62 162.76 29.07 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.02 43.01 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.506 1.793 . . . . 0.0 111.043 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.733 ' CD1' HD21 ' A' ' 59' ' ' LEU . 9.6 mt -74.55 125.04 33.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.72 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 3.6 tt0 -57.84 139.56 53.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 86.73 -37.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.594 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 31.3 t-105 -40.52 131.97 2.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 107.997 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -168.54 112.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.26 -78.67 0.08 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -142.41 -72.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.699 ' O ' HG22 ' A' ' 24' ' ' THR . 0.4 OUTLIER -170.27 160.29 7.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.594 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 4.8 tt -94.47 -32.07 4.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.07 -10.83 60.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.699 HG22 ' O ' ' A' ' 21' ' ' ASP . 6.1 t -84.03 -27.39 28.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 110.427 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.9 mt -68.33 -46.84 69.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 158.46 -118.04 0.81 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.469 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 1.2 m-20 -134.6 -166.04 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 109.359 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.81 HG22 ' HE1' ' A' ' 52' ' ' PHE . 74.6 t -118.44 93.9 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.753 HD11 ' CB ' ' A' ' 53' ' ' SER . 61.0 mt -48.46 -78.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 113' ' ' ASP . 0.3 OUTLIER -124.14 123.32 40.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.642 ' HE3' HD22 ' A' ' 50' ' ' LEU . 35.8 ttm -124.0 127.46 47.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.6 t -160.83 166.93 27.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.993 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -85.85 108.39 18.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 110.336 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.482 ' HB ' ' CG1' ' A' ' 106' ' ' VAL . 11.3 m -105.49 177.92 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 35' ' ' VAL . 1.4 t -131.7 107.22 12.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.455 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 3.4 tmm? -128.15 121.17 28.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.431 ' CB ' ' HB2' ' A' ' 45' ' ' GLU . 9.8 tm0? -129.11 -72.74 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -177.25 -170.94 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.627 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.25 71.24 2.73 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.143 . . . . 0.0 111.052 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 60.2 111.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 0.78 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.9 t -147.1 -74.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 108.305 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.423 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 5.7 mt-10 -123.85 -71.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.423 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 10.3 mm-40 -141.42 -168.52 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.262 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -84.16 -179.47 7.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' A' ' 36' ' ' MET . 1.1 mm-40 -151.17 99.97 2.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.454 ' HG2' HG23 ' A' ' 35' ' ' VAL . 1.3 mt-10 -73.69 139.82 45.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.45 165.68 25.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -107.17 133.63 51.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.782 ' C ' HD23 ' A' ' 50' ' ' LEU . 2.0 m-30 -119.04 125.81 50.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.782 HD23 ' C ' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -115.5 110.01 18.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.638 HD23 ' OE1' ' A' ' 120' ' ' GLN . 6.8 tp -88.45 111.65 22.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.81 ' HE1' HG22 ' A' ' 28' ' ' VAL . 7.7 m-30 -94.68 -4.69 47.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.16 . . . . 0.0 111.042 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.753 ' CB ' HD11 ' A' ' 29' ' ' ILE . 0.5 OUTLIER 84.23 -13.66 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.991 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.36 -4.28 7.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.401 HG21 ' HD3' ' A' ' 73' ' ' LYS . 1.2 p -176.27 154.26 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.372 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.789 HD13 ' O ' ' A' ' 56' ' ' LEU . 1.3 tm? -106.45 98.96 8.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.584 HG13 ' CE2' ' A' ' 52' ' ' PHE . 11.5 mm -81.59 134.81 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.643 ' O ' HD12 ' A' ' 59' ' ' LEU . 38.1 mtm -119.04 133.79 55.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.739 HD22 HD11 ' A' ' 50' ' ' LEU . 4.2 mp -121.38 160.22 24.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.1 t -138.75 152.69 48.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -126.92 62.37 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.483 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -43.02 -52.9 11.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 62' ' ' SER . 18.3 Cg_endo -75.02 -162.64 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.526 1.803 . . . . 0.0 111.004 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.52 -85.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.332 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -134.91 109.8 8.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.3 t 179.71 90.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.94 -166.65 2.68 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.51 ' CD1' ' HB3' ' A' ' 59' ' ' LEU . 7.5 m-85 -128.96 171.15 12.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 0.737 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 20.6 ttt -128.11 118.54 23.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.476 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 23.4 t80 -74.01 123.16 23.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -94.68 -70.59 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -146.75 172.16 27.34 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.459 1.099 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.401 ' HD3' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -132.08 139.03 48.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.766 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.789 HD12 HD12 ' A' ' 56' ' ' LEU . 2.5 mt -117.58 115.78 37.23 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.452 ' C ' ' N ' ' A' ' 77' ' ' ALA . 18.2 Cg_endo -75.04 127.11 10.39 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 40.8 mm -41.07 -28.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.244 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.452 ' N ' ' C ' ' A' ' 75' ' ' PRO . . . -70.04 132.07 45.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.97 -15.8 25.02 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.53 ' HE3' ' HB ' ' A' ' 74' ' ' ILE . 3.5 tpp -53.04 153.11 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 36.8 t -138.73 111.53 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.7 t -131.43 119.05 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 83' ' ' ARG . 72.0 m-20 -149.4 41.81 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.536 ' HB3' ' HE2' ' A' ' 118' ' ' MET . 28.0 ptt180 38.11 37.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.788 HD13 ' CE ' ' A' ' 93' ' ' MET . 2.8 mt 44.68 68.7 0.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -96.54 12.64 30.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.937 ' C ' HD13 ' A' ' 87' ' ' ILE . 14.4 mt-10 -77.71 -4.41 46.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.937 HD13 ' C ' ' A' ' 86' ' ' GLU . 0.9 OUTLIER -108.49 -148.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.561 ' H ' HG22 ' A' ' 87' ' ' ILE . 59.3 mt-10 -158.93 116.03 2.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 38.6 77.82 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 t -166.38 81.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 65.56 142.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.492 ' O ' ' CG ' ' A' ' 93' ' ' MET . 0.9 OUTLIER -82.58 -85.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 108.286 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.788 ' CE ' HD13 ' A' ' 84' ' ' LEU . 15.5 ptt? 42.57 -167.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.45 ' CB ' ' HA ' ' A' ' 83' ' ' ARG . 17.9 p90 -167.65 157.56 10.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.569 ' HB3' HD11 ' A' ' 84' ' ' LEU . 9.6 pt-20 -112.71 166.23 11.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.375 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.44 HD11 ' HE2' ' A' ' 94' ' ' PHE . 52.4 mt -135.85 93.01 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.847 HG22 ' HA ' ' A' ' 103' ' ' ARG . 21.9 p -113.94 -175.48 2.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.414 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 134.08 60.79 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.55 -170.16 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.963 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.442 HG22 HG12 ' A' ' 101' ' ' VAL . 97.5 m -42.56 -63.86 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.361 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.655 HG22 ' O ' ' A' ' 101' ' ' VAL . 2.1 p -163.79 63.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 103' ' ' ARG . 1.1 tp10 -124.6 137.58 54.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.847 ' HA ' HG22 ' A' ' 97' ' ' THR . 43.6 ttp180 -137.81 119.53 15.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.63 ' CD1' HD11 ' A' ' 74' ' ' ILE . 1.9 mt -96.9 110.44 24.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 61.0 t -97.67 98.49 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.482 ' CG1' ' HB ' ' A' ' 34' ' ' VAL . 4.6 t -85.03 135.68 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.46 157.82 37.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.592 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.16 -168.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 108.282 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -160.06 -44.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 72.14 79.48 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 179.68 166.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.32 -20.59 11.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 4.3 m-20 -65.67 -53.16 44.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -50.52 -61.48 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -35.8 12.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.262 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -57.75 9.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.624 ' O ' HD12 ' A' ' 121' ' ' LEU . 51.5 m95 -47.56 -46.28 27.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 107.95 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.536 ' HE2' ' HB3' ' A' ' 83' ' ' ARG . 94.5 mmm -67.48 -34.61 77.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 122' ' ' ASN . 0.4 OUTLIER -64.91 -53.94 38.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.638 ' OE1' HD23 ' A' ' 51' ' ' LEU . 1.9 pt20 -65.55 -57.58 7.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.35 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 117' ' ' TRP . 9.9 mt -46.93 -27.06 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.3 OUTLIER -68.22 -54.16 19.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.44 ' HG3' ' N ' ' A' ' 124' ' ' LEU . 3.9 ptp180 -74.75 -35.16 62.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.673 HD13 ' HA ' ' A' ' 53' ' ' SER . 6.2 mt -55.93 -76.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 121' ' ' LEU . 60.2 p -46.4 -31.07 2.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.418 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -95.55 -165.43 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.306 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.26 88.26 2.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.09 . . . . 0.0 109.988 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 106.97 165.69 22.29 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 150.51 38.17 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.498 1.789 . . . . 0.0 110.973 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.44 108.63 8.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 34.2 t 51.62 82.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -124.88 162.14 25.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 109.962 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 t -89.51 85.14 6.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.04 -59.87 2.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 m -105.28 117.6 34.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 109.978 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 p -77.05 116.0 17.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.04 103.28 2.98 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.527 1.142 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -115.11 163.72 15.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 0.777 . . . . 0.0 110.355 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.516 HD12 ' CD2' ' A' ' 68' ' ' PHE . 11.4 mm -72.39 151.18 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 12' ' ' GLU . 4.6 pp -42.49 159.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' GLU . 13.8 m -43.25 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.013 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 10' ' ' LEU . 5.3 mt-10 -38.98 152.76 0.18 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -164.38 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.475 1.776 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.933 ' CD1' HD21 ' A' ' 59' ' ' LEU . 5.2 mt -96.62 152.54 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.666 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 6.2 tt0 -97.76 127.51 43.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 81.5 22.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.792 ' CZ2' HD12 ' A' ' 22' ' ' ILE . 69.7 t-105 -80.25 129.69 34.68 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -126.38 -179.67 4.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.97 -95.7 1.09 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -164.44 -53.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.537 ' CB ' HG23 ' A' ' 24' ' ' THR . 0.4 OUTLIER -160.45 151.26 18.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.792 HD12 ' CZ2' ' A' ' 17' ' ' TRP . 4.9 tt -82.33 -20.67 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -74.3 -7.85 54.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.537 HG23 ' CB ' ' A' ' 21' ' ' ASP . 29.8 p -80.02 -31.48 39.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.443 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 79.4 mt -73.6 -63.67 1.15 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.15 -152.79 22.53 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -105.22 154.54 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.848 HG22 ' CE1' ' A' ' 52' ' ' PHE . 89.5 t -78.5 96.66 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.693 HG22 ' N ' ' A' ' 30' ' ' PHE . 8.0 mt -44.77 -78.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.693 ' N ' HG22 ' A' ' 29' ' ' ILE . 84.4 t80 -141.32 119.53 12.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.5 ptm -112.57 146.14 39.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.3 t -161.63 153.42 19.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -73.85 105.41 5.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.1 m -105.41 178.89 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.565 HG22 ' HG3' ' A' ' 46' ' ' GLU . 2.1 t -131.33 111.64 19.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.69 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.6 tmm? -133.06 119.56 20.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -121.65 -97.69 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -158.55 -51.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.596 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -172.96 -73.8 0.05 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -164.83 101.32 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.6 m -119.51 -71.36 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 108.295 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.448 ' C ' ' CG ' ' A' ' 43' ' ' GLU . 19.5 mt-10 -128.4 -53.44 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.227 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.448 ' CG ' ' C ' ' A' ' 42' ' ' GLU . 4.9 mt-10 -154.18 -176.17 5.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.325 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.401 ' HB2' ' CG1' ' A' ' 35' ' ' VAL . 39.3 pttt -75.63 153.98 36.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 36' ' ' MET . 24.1 tt0 -114.59 104.79 12.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.565 ' HG3' HG22 ' A' ' 35' ' ' VAL . 12.5 mt-10 -80.84 147.98 30.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.64 174.82 12.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -120.56 116.66 25.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.571 ' C ' HD23 ' A' ' 50' ' ' LEU . 2.5 m-30 -104.44 121.28 43.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.956 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.728 HD11 HD22 ' A' ' 59' ' ' LEU . 1.3 mt -108.25 115.06 29.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.865 HD21 HD12 ' A' ' 124' ' ' LEU . 10.4 tp -91.8 112.42 24.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.848 ' CE1' HG22 ' A' ' 28' ' ' VAL . 8.9 m-30 -95.25 0.58 54.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.573 ' CB ' HD11 ' A' ' 29' ' ' ILE . 0.9 OUTLIER 79.36 35.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.001 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.39 -32.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.046 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.8 p -138.24 149.4 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.768 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.4 tm? -107.53 93.45 4.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.625 HG13 ' CE2' ' A' ' 52' ' ' PHE . 5.0 mm -77.03 135.13 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.566 ' O ' HD12 ' A' ' 59' ' ' LEU . 12.6 mtm -119.75 127.85 53.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.933 HD21 ' CD1' ' A' ' 14' ' ' ILE . 1.6 mp -119.24 161.18 20.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.4 m -127.72 135.48 50.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -137.34 29.11 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.471 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.2 OUTLIER -39.38 -54.93 3.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.958 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.5 Cg_endo -74.94 144.65 30.74 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.506 1.793 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.471 ' C ' ' CG ' ' A' ' 65' ' ' MET . 0.5 OUTLIER -102.11 85.02 2.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.471 ' CG ' ' C ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER 165.32 -29.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 111.007 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.8 m -96.53 165.19 12.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.959 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.45 -147.13 0.7 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.131 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.7 ' HD2' HD23 ' A' ' 59' ' ' LEU . 12.4 m-30 -108.09 144.87 34.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 0.765 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.1 ttt -116.25 131.88 56.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -86.73 126.1 34.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -101.01 -64.31 1.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -149.88 175.21 29.1 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.525 1.141 . . . . 0.0 111.036 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -138.39 138.6 38.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 0.753 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.603 HD11 HD12 ' A' ' 104' ' ' ILE . 4.1 mt -113.04 121.76 37.45 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 125.65 9.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.742 HD13 ' SD ' ' A' ' 79' ' ' MET . 10.4 mm -51.63 -26.35 6.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.09 -72.65 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -71.44 -3.66 54.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.435 1.084 . . . . 0.0 110.964 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.742 ' SD ' HD13 ' A' ' 76' ' ' ILE . 32.5 ttm -67.72 146.62 53.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.4 t -135.78 108.77 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.637 HG21 HD22 ' A' ' 121' ' ' LEU . 3.8 t -110.77 140.2 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.486 ' O ' HD12 ' A' ' 84' ' ' LEU . 55.7 m-20 -174.04 165.99 4.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.29 11.52 11.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.744 HD11 ' HG2' ' A' ' 95' ' ' GLU . 6.4 mp 54.67 54.72 8.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -85.81 -1.73 57.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.838 ' C ' HD13 ' A' ' 87' ' ' ILE . 3.3 mt-10 -70.08 -7.04 38.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.838 HD13 ' C ' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -103.24 -145.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.534 ' H ' HG22 ' A' ' 87' ' ' ILE . 4.9 pt-20 -134.84 61.89 1.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.65 96.79 0.14 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.4 t -106.07 -58.88 1.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 0.748 . . . . 0.0 110.016 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.98 168.9 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 27.8 p -85.4 70.31 10.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 108.29 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.1 ptt? -148.87 -170.07 3.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -148.25 157.86 43.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.744 ' HG2' HD11 ' A' ' 84' ' ' LEU . 6.4 pt-20 -120.88 139.9 52.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 53.0 mt -107.91 117.55 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.621 HG22 ' HA ' ' A' ' 103' ' ' ARG . 46.6 p -126.11 -175.61 3.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.422 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 133.7 69.25 0.08 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.46 -173.46 0.43 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.573 0.808 . . . . 0.0 110.004 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.498 HG23 ' N ' ' A' ' 101' ' ' VAL . 2.4 t -40.31 -55.59 2.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.412 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.498 ' N ' HG23 ' A' ' 100' ' ' THR . 4.5 p -177.55 68.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -130.55 146.05 52.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.621 ' HA ' HG22 ' A' ' 97' ' ' THR . 14.8 ttm105 -133.47 143.76 49.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.69 HG23 ' HG3' ' A' ' 36' ' ' MET . 2.8 mt -119.03 108.72 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 37.6 t -89.47 98.18 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.1 t -87.48 117.86 32.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.252 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -74.71 132.22 41.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.559 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 32.1 p -51.72 127.84 21.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 108.27 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -61.45 -61.15 2.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -154.74 -65.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -174.18 -65.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -56.09 -62.33 1.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.05 -59.17 4.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -44.11 -53.57 6.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -48.42 -59.36 3.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.12 -53.59 3.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.673 ' HE3' HD11 ' A' ' 121' ' ' LEU . 60.1 m95 -54.29 -51.05 65.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 108.037 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 99.6 mmm -64.68 -17.81 64.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 111.018 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -79.7 -59.06 2.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.517 ' O ' ' N ' ' A' ' 123' ' ' ARG . 7.0 pt20 -61.05 -56.99 14.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.673 HD11 ' HE3' ' A' ' 117' ' ' TRP . 5.5 mt -49.19 -23.8 1.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.5 OUTLIER -69.49 -29.4 67.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 120' ' ' GLN . 3.9 ptp180 -104.72 -36.34 7.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.347 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.865 HD12 HD21 ' A' ' 51' ' ' LEU . 25.1 mt -58.86 -70.93 0.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 126' ' ' LYS . 23.7 p -67.66 -61.33 1.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.443 ' N ' ' OG1' ' A' ' 125' ' ' THR . 0.2 OUTLIER 67.71 105.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 21.4 m -52.36 -60.98 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.021 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -150.03 168.8 30.1 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -44.51 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.532 1.806 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.75 152.39 19.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.965 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.2 t -88.23 -58.84 2.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.002 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.6 p -134.18 90.74 2.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 0.737 . . . . 0.0 110.034 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.34 81.49 2.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.985 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.33 -168.82 30.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.135 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.16 155.42 46.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 0.0 109.978 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.47 153.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.961 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.81 -71.51 0.37 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -105.33 148.52 26.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.562 HD11 ' CE ' ' A' ' 31' ' ' MET . 1.5 tt -42.21 -36.61 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.743 HD12 ' N ' ' A' ' 11' ' ' SER . 2.2 pp -147.29 -48.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.743 ' N ' HD12 ' A' ' 10' ' ' LEU . 0.6 OUTLIER 179.98 -69.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.035 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.524 ' CG ' HD11 ' A' ' 10' ' ' LEU . 3.4 pt-20 -60.51 157.27 37.4 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 110.34 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.32 13.0 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.48 1.779 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.717 HD13 HD21 ' A' ' 59' ' ' LEU . 8.2 mt -80.57 156.14 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.52 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 5.4 tt0 -94.39 134.54 36.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 72.22 25.98 2.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.592 ' CZ2' HD12 ' A' ' 22' ' ' ILE . 71.5 t-105 -89.42 98.14 11.59 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -122.86 161.0 24.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.081 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.08 -68.02 0.31 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.102 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -165.81 -174.07 2.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.698 ' HB3' HG23 ' A' ' 24' ' ' THR . 0.2 OUTLIER -69.53 160.94 30.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.592 HD12 ' CZ2' ' A' ' 17' ' ' TRP . 9.9 tt -93.76 -34.36 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.231 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -59.12 -18.84 39.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.303 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.698 HG23 ' HB3' ' A' ' 21' ' ' ASP . 48.3 p -72.98 -30.55 63.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.404 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.7 mt -69.37 -63.12 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 162.37 -137.72 4.99 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -120.98 160.27 23.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.844 HG22 ' HE1' ' A' ' 52' ' ' PHE . 88.0 t -80.16 102.1 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.533 HG22 ' N ' ' A' ' 30' ' ' PHE . 1.4 mp -59.66 -77.45 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.571 ' CD1' ' NE1' ' A' ' 117' ' ' TRP . 1.0 OUTLIER -119.86 122.29 40.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.562 ' CE ' HD11 ' A' ' 9' ' ' ILE . 33.5 ttm -124.17 121.37 34.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.1 p -156.91 145.8 20.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.004 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -72.56 108.07 5.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.464 ' CG2' HG13 ' A' ' 106' ' ' VAL . 9.6 m -105.22 179.15 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.595 HG22 ' HG3' ' A' ' 46' ' ' GLU . 2.3 t -124.97 112.96 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.509 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.9 tmm? -137.72 124.0 20.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.434 ' NE2' ' H ' ' A' ' 38' ' ' HIS . 2.0 tm0? -120.19 169.32 10.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.308 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.434 ' H ' ' NE2' ' A' ' 37' ' ' GLN . 31.0 m-70 -75.53 -76.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.596 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -141.96 -74.06 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -130.05 126.32 37.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.759 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -160.09 -168.15 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 108.271 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -44.21 -91.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -133.93 -169.6 2.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -42.68 141.34 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 36' ' ' MET . 3.3 tp10 -105.74 95.96 6.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.595 ' HG3' HG22 ' A' ' 35' ' ' VAL . 18.3 mt-10 -75.63 147.19 39.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.412 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 0.0 OUTLIER -162.5 175.95 10.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.402 ' O ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -118.36 129.71 55.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.842 ' C ' HD23 ' A' ' 50' ' ' LEU . 3.1 m-30 -117.22 124.28 48.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.874 HD11 HD22 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -110.59 110.44 21.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.652 HD22 ' CZ3' ' A' ' 117' ' ' TRP . 7.2 tp -87.88 112.53 22.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.844 ' HE1' HG22 ' A' ' 28' ' ' VAL . 9.0 m-30 -100.2 8.34 43.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.777 ' HA ' HD13 ' A' ' 124' ' ' LEU . 9.3 t 65.45 41.11 4.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 178.38 -31.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.747 HG21 ' HD3' ' A' ' 73' ' ' LYS . 5.1 p -148.07 142.18 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.755 HD13 ' O ' ' A' ' 56' ' ' LEU . 1.8 tm? -100.02 100.24 11.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.629 HG13 ' CE2' ' A' ' 52' ' ' PHE . 5.1 mm -84.19 132.06 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.765 ' O ' HD12 ' A' ' 59' ' ' LEU . 2.3 mpp? -109.12 133.12 53.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.874 HD22 HD11 ' A' ' 50' ' ' LEU . 6.0 mp -128.65 161.83 28.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 47' ' ' ARG . 34.2 t -149.61 153.5 37.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.954 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -126.26 73.97 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.467 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -67.02 -53.47 25.55 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.017 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 62' ' ' SER . 18.4 Cg_endo -75.03 -174.59 2.0 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.483 1.78 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.58 151.17 47.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.338 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 ptm -37.74 108.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.7 t 179.29 88.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.13 -175.17 24.9 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.555 ' CB ' HD23 ' A' ' 59' ' ' LEU . 12.9 m-85 -130.86 158.7 39.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.402 ' O ' ' HA ' ' A' ' 59' ' ' LEU . 8.9 ttt -112.21 133.52 54.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.421 ' CD1' ' CZ3' ' A' ' 17' ' ' TRP . 53.7 t80 -93.82 131.58 39.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -104.05 -66.56 0.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -144.27 -170.2 13.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.747 ' HD3' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -150.59 137.73 19.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 0.787 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.552 HD11 ' CD1' ' A' ' 104' ' ' ILE . 3.7 mt -111.6 121.07 40.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 124.19 8.4 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.514 1.797 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.82 HD13 ' SD ' ' A' ' 79' ' ' MET . 25.9 mm -56.2 -22.82 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.86 -65.27 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -85.35 14.38 50.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.559 1.162 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.82 ' SD ' HD13 ' A' ' 76' ' ' ILE . 9.7 ttm -78.09 145.3 35.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 0.741 . . . . 0.0 111.013 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 97' ' ' THR . 41.1 t -126.75 107.5 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.631 HG21 HD22 ' A' ' 121' ' ' LEU . 6.0 t -108.32 148.71 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 15.2 p30 170.67 139.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.62 55.18 1.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.495 HD21 ' HB3' ' A' ' 95' ' ' GLU . 4.0 mm? 40.77 73.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -88.64 11.05 18.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 1.003 ' C ' HD13 ' A' ' 87' ' ' ILE . 3.0 mt-10 -90.47 -7.04 54.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 1.003 HD13 ' C ' ' A' ' 86' ' ' GLU . 0.9 OUTLIER -112.83 -148.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.551 ' H ' HG22 ' A' ' 87' ' ' ILE . 3.8 mt-10 -142.96 88.26 2.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 52.71 102.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 13.4 t -116.16 -61.2 1.76 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 0.781 . . . . 0.0 110.007 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -172.73 179.89 2.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.359 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 114' ' ' PHE . 26.9 p -83.46 70.52 10.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 108.27 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.8 ptt? -146.2 159.06 43.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.649 ' HE2' HD11 ' A' ' 96' ' ' ILE . 33.1 p90 -137.49 170.11 16.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.495 ' HB3' HD21 ' A' ' 84' ' ' LEU . 12.9 pt-20 -120.18 139.55 52.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.649 HD11 ' HE2' ' A' ' 94' ' ' PHE . 76.3 mt -113.6 100.21 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.693 HG22 ' HA ' ' A' ' 103' ' ' ARG . 0.7 OUTLIER -130.67 -174.22 3.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.398 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 99' ' ' SER . . . -129.83 -62.17 0.1 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 98' ' ' GLY . 2.9 p 160.98 48.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.755 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.61 ' O ' HG23 ' A' ' 101' ' ' VAL . 22.4 m -158.13 -92.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.769 ' O ' HG12 ' A' ' 101' ' ' VAL . 41.9 t -157.91 57.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 109.353 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -129.69 20.48 5.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.277 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.693 ' HA ' HG22 ' A' ' 97' ' ' THR . 41.0 ttm180 -49.9 131.5 22.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.552 ' CD1' HD11 ' A' ' 74' ' ' ILE . 2.6 mt -126.67 108.2 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.7 t -93.34 100.22 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.464 HG13 ' CG2' ' A' ' 34' ' ' VAL . 8.9 t -86.22 126.82 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -85.24 164.12 18.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.621 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 86.1 m -152.33 146.25 25.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 108.295 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -104.58 -52.29 2.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -99.54 -176.46 3.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -114.1 21.15 15.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -97.63 -69.21 0.77 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -53.63 -48.78 69.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.577 ' CE1' ' HG3' ' A' ' 118' ' ' MET . 11.4 t80 -53.1 -53.18 54.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.088 . . . . 0.0 111.005 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.6 -61.41 1.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.331 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.415 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -47.75 -59.38 3.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.659 ' O ' HD12 ' A' ' 121' ' ' LEU . 40.0 m95 -46.14 -49.58 16.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 108.022 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.577 ' HG3' ' CE1' ' A' ' 114' ' ' PHE . 98.9 mmm -61.68 -33.45 74.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.69 -64.17 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.532 ' OE1' HD23 ' A' ' 51' ' ' LEU . 1.5 pt20 -55.94 -58.9 5.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.659 HD12 ' O ' ' A' ' 117' ' ' TRP . 8.1 mt -41.64 -29.34 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.405 ' N ' ' C ' ' A' ' 120' ' ' GLN . 0.4 OUTLIER -74.33 -50.2 19.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 120' ' ' GLN . 13.6 ptt180 -73.44 -22.46 60.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.777 HD13 ' HA ' ' A' ' 53' ' ' SER . 12.2 mt -74.22 -76.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 62.0 p -48.47 -51.6 26.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.369 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 123' ' ' ARG . 1.2 mttm -102.36 -163.16 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.35 -54.77 3.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.023 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 155.01 -161.96 30.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 165.42 31.33 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.32 153.26 47.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 35.2 p -164.88 -58.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.428 1.08 . . . . 0.0 111.023 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.47 -69.48 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.998 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.4 m -150.59 170.69 18.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.929 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.09 138.57 2.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 m -169.92 166.59 9.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.747 . . . . 0.0 109.996 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 t -153.78 150.09 28.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 110.039 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.63 116.55 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 65.72 146.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 0.74 . . . . 0.0 110.303 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.896 HG22 ' HG ' ' A' ' 10' ' ' LEU . 9.6 mm 62.23 128.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.896 ' HG ' HG22 ' A' ' 9' ' ' ILE . 3.7 pp 41.62 -166.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.784 ' OG ' HD12 ' A' ' 10' ' ' LEU . 1.1 m 79.96 -61.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -120.94 158.68 51.74 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 159.28 41.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.965 ' CD1' HD21 ' A' ' 59' ' ' LEU . 4.4 mt -85.88 159.14 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.451 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 7.9 tt0 -94.93 131.29 41.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 69.1 39.71 1.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.563 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 75.9 t-105 -82.18 -40.98 20.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 108.008 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 72.85 165.67 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 20' ' ' ASP . . . -48.7 125.15 13.49 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 0.5 OUTLIER 161.84 154.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 0.787 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.928 ' O ' HG22 ' A' ' 24' ' ' THR . 3.2 m-20 -98.9 107.46 19.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.563 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 9.2 tt -71.06 -12.51 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.54 ' HE3' HG23 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -92.61 -7.36 47.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.928 HG22 ' O ' ' A' ' 21' ' ' ASP . 4.9 t -86.29 -25.03 25.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 110.352 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.559 HD22 ' CG1' ' A' ' 55' ' ' VAL . 93.3 mt -72.87 -93.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 178.86 171.98 42.69 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.459 1.099 . . . . 0.0 111.04 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -66.94 167.29 11.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 0.744 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.457 HG22 ' CE1' ' A' ' 52' ' ' PHE . 79.3 t -83.76 99.6 6.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.761 HD11 ' CB ' ' A' ' 53' ' ' SER . 70.7 mt -54.95 -78.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.64 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -135.11 123.39 23.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.706 ' CE ' HD11 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -122.79 148.21 45.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -163.91 172.21 14.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.036 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -94.79 105.51 17.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.513 HG21 HG13 ' A' ' 106' ' ' VAL . 20.3 m -111.87 176.35 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.528 HG13 ' H ' ' A' ' 45' ' ' GLU . 2.3 t -125.19 112.26 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.733 ' HG3' HG23 ' A' ' 104' ' ' ILE . 2.8 tmm? -130.84 125.39 33.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.454 ' HB3' ' CG ' ' A' ' 45' ' ' GLU . 9.1 pt20 -129.09 173.09 10.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -81.39 -62.58 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.598 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -160.55 -70.85 0.02 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.523 1.139 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -143.65 112.18 6.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -130.24 -74.34 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 108.315 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.42 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 1.1 mm-40 -139.63 -80.14 0.3 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 3.9 mm-40 -137.34 -168.79 2.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.257 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -43.78 148.63 0.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.528 ' H ' HG13 ' A' ' 35' ' ' VAL . 66.2 mm-40 -117.55 83.07 1.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.504 ' CD ' ' CG2' ' A' ' 35' ' ' VAL . 1.0 OUTLIER -70.34 129.73 40.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -143.51 153.79 42.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.241 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -103.72 107.69 18.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.633 ' CE1' HD11 ' A' ' 56' ' ' LEU . 2.4 m-30 -94.94 125.41 39.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.995 HD11 HD22 ' A' ' 59' ' ' LEU . 1.8 mt -117.75 113.64 22.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.601 HD22 ' CZ3' ' A' ' 117' ' ' TRP . 5.5 tp -84.89 102.6 13.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.585 ' CE2' HG13 ' A' ' 57' ' ' ILE . 4.8 m-30 -84.51 2.86 39.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.761 ' CB ' HD11 ' A' ' 29' ' ' ILE . 1.1 p 74.32 43.11 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.05 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.4 t 173.81 -30.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.559 ' CG1' HD22 ' A' ' 25' ' ' LEU . 2.6 p -148.24 142.35 19.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.778 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.2 tm? -91.37 95.45 10.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.585 HG13 ' CE2' ' A' ' 52' ' ' PHE . 37.7 mm -76.51 131.13 35.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.68 ' O ' HD12 ' A' ' 59' ' ' LEU . 11.4 mtm -114.09 125.81 54.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.995 HD22 HD11 ' A' ' 50' ' ' LEU . 5.1 mp -121.71 159.05 27.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 p -152.2 135.07 15.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -96.09 98.93 10.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.253 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.35 163.51 26.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 67.34 5.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -128.86 -59.7 1.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.1 ttp -174.35 150.02 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.8 t -39.16 147.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 118.76 -176.97 16.29 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.12 . . . . 0.0 111.024 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.769 ' CD2' HD23 ' A' ' 59' ' ' LEU . 21.0 m-30 -117.28 151.61 36.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 0.0 111.014 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 16.0 ttt -118.34 116.91 27.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.468 ' OH ' ' CG ' ' A' ' 73' ' ' LYS . 11.7 t80 -68.87 134.61 49.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -134.53 78.65 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 74.11 166.67 14.68 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.468 ' CG ' ' OH ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -144.05 141.83 30.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 109.289 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.64 HD11 ' CD1' ' A' ' 104' ' ' ILE . 2.8 mt -113.68 121.58 36.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 129.12 12.03 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.498 1.788 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.852 HD13 ' SD ' ' A' ' 79' ' ' MET . 21.7 mm -58.64 -18.07 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.43 -68.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.251 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -78.25 3.52 62.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.454 1.096 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.852 ' SD ' HD13 ' A' ' 76' ' ' ILE . 21.7 ttm -73.44 134.55 43.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 0.737 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.1 t -122.94 106.68 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.804 HG21 HD22 ' A' ' 121' ' ' LEU . 5.0 t -101.84 153.98 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 54.4 p30 175.33 160.78 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -90.77 25.69 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' A' ' 94' ' ' PHE . 1.0 OUTLIER 44.56 71.08 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -79.32 0.33 29.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.935 ' C ' HD13 ' A' ' 87' ' ' ILE . 2.9 mt-10 -63.56 -12.22 30.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 0.0 110.28 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.935 HD13 ' C ' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -108.53 -145.81 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.532 ' H ' HG22 ' A' ' 87' ' ' ILE . 35.8 mt-10 -144.66 71.8 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 47.47 95.41 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.4 -63.07 1.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 0.742 . . . . 0.0 110.006 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -135.88 171.08 14.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.423 ' O ' ' CE1' ' A' ' 114' ' ' PHE . 98.4 m -97.54 73.99 2.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 108.285 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -137.98 179.82 6.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.679 ' HA ' HD12 ' A' ' 84' ' ' LEU . 3.5 p90 -155.5 168.18 27.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.985 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.579 ' HG3' HG23 ' A' ' 97' ' ' THR . 4.2 pt-20 -118.98 142.47 47.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.616 HD11 ' HE2' ' A' ' 94' ' ' PHE . 4.0 mt -119.27 91.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.601 HG22 ' HA ' ' A' ' 103' ' ' ARG . 73.1 p -96.25 -175.9 3.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.371 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 154.18 -21.85 0.66 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.427 ' O ' ' HB ' ' A' ' 100' ' ' THR . 0.1 OUTLIER -71.47 -67.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 110.009 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.556 ' O ' HG23 ' A' ' 101' ' ' VAL . 0.1 OUTLIER 175.15 -34.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.433 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.579 ' O ' ' C ' ' A' ' 102' ' ' GLU . 54.7 t -157.32 -42.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.579 ' C ' ' O ' ' A' ' 101' ' ' VAL . 25.1 tt0 -22.69 -66.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.34 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.601 ' HA ' HG22 ' A' ' 97' ' ' THR . 11.7 ttm180 66.13 140.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.733 HG23 ' HG3' ' A' ' 36' ' ' MET . 6.5 mt -116.39 127.44 74.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.5 t -104.98 97.21 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.513 HG13 HG21 ' A' ' 34' ' ' VAL . 22.0 t -83.4 118.61 31.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -90.24 121.41 32.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.597 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 19.2 m -113.94 173.59 6.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.276 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -146.07 -48.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.253 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.47 174.98 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -117.42 -55.39 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -61.66 2.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.06 -59.64 4.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.423 ' CE1' ' O ' ' A' ' 92' ' ' CYS . 65.2 t80 -41.74 -55.81 2.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -45.68 -61.36 1.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.261 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.553 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -38.39 -59.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 110.273 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.64 ' CZ2' ' O ' ' A' ' 30' ' ' PHE . 38.8 m95 -42.52 -51.33 5.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 107.974 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.41 ' SD ' ' CZ ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -59.25 -42.23 90.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -68.95 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.428 ' O ' ' HG ' ' A' ' 124' ' ' LEU . 0.6 OUTLIER -48.18 -59.34 3.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 110.28 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.804 HD22 HG21 ' A' ' 81' ' ' VAL . 12.1 mt -44.78 -55.08 5.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.421 ' C ' ' O ' ' A' ' 121' ' ' LEU . 0.3 OUTLIER -39.06 -32.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.507 ' HG2' HD23 ' A' ' 124' ' ' LEU . 9.9 ttm105 -92.34 -59.78 2.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.345 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.706 HD13 ' HA ' ' A' ' 53' ' ' SER . 6.7 mt -45.73 -54.77 7.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.579 HG21 ' CG2' ' A' ' 81' ' ' VAL . 11.0 p -88.78 38.29 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.429 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.21 -68.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 18.2 t 58.87 101.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -141.96 -168.45 11.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.13 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 100.76 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.486 1.782 . . . . 0.0 111.061 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 99.9 p -108.99 120.84 43.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.958 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.44 97.99 5.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.975 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 t -102.42 149.38 24.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.744 . . . . 0.0 110.024 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 p -101.01 150.47 22.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.011 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.17 -124.84 2.8 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.5 m 63.19 134.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 0.0 110.051 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 m 61.84 150.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.97 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.48 73.92 0.41 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.436 ' C ' ' N ' ' A' ' 10' ' ' LEU . 1.7 mp0 -104.59 -56.96 2.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 110.311 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.715 HD13 ' HE2' ' A' ' 31' ' ' MET . 1.9 tt -43.3 -27.53 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.08 . . . . 0.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.436 ' N ' ' C ' ' A' ' 8' ' ' GLN . 0.3 OUTLIER -125.92 162.89 24.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m 74.71 -58.35 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.968 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -76.46 152.93 83.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 140.8 25.8 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 111.008 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.594 HD13 HD21 ' A' ' 59' ' ' LEU . 6.4 mt -83.97 137.44 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.421 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 4.6 tt0 -75.16 138.66 42.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 67.88 20.59 9.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.527 ' CZ2' HD12 ' A' ' 22' ' ' ILE . 73.6 t-105 -84.11 93.89 8.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 108.017 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.32 149.34 40.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.59 -65.77 0.59 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -177.7 -167.08 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 0.739 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.552 ' CB ' HG23 ' A' ' 24' ' ' THR . 1.1 m-20 -68.58 154.09 42.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.527 HD12 ' CZ2' ' A' ' 17' ' ' TRP . 9.5 tt -83.98 -27.68 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.51 -19.82 65.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.552 HG23 ' CB ' ' A' ' 21' ' ' ASP . 19.3 p -70.08 -25.67 63.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.414 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 70.1 mt -80.67 -71.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.83 -139.44 5.79 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.458 1.099 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.53 -167.79 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.806 HG22 ' CE1' ' A' ' 52' ' ' PHE . 78.0 t -113.54 104.2 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.58 HD11 ' HB3' ' A' ' 53' ' ' SER . 25.8 mt -55.91 -76.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.6 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -132.05 124.78 29.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.715 ' HE2' HD13 ' A' ' 9' ' ' ILE . 5.9 ptm -122.25 135.47 54.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.0 p -161.36 160.41 29.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.949 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -82.47 107.14 14.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.58 ' HB ' HG13 ' A' ' 106' ' ' VAL . 27.5 m -105.52 174.47 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.507 ' CG2' ' CD ' ' A' ' 46' ' ' GLU . 1.4 t -126.66 106.66 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.441 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 1.7 tmm? -127.62 121.64 31.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.449 ' CG ' ' HG3' ' A' ' 45' ' ' GLU . 21.3 tm0? -128.79 149.23 50.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.599 ' CG ' ' N ' ' A' ' 39' ' ' GLY . 0.8 OUTLIER -46.93 -88.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.64 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.599 ' N ' ' CG ' ' A' ' 38' ' ' HIS . . . -167.17 90.83 0.1 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 39' ' ' GLY . . . 76.58 120.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 0.762 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.404 ' HB2' ' NE2' ' A' ' 37' ' ' GLN . 0.8 OUTLIER -170.18 -153.67 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 108.319 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -53.94 -82.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -142.32 -174.57 4.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -44.45 159.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.449 ' HG3' ' CG ' ' A' ' 37' ' ' GLN . 17.4 mt-10 -121.8 80.99 1.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.507 ' CD ' ' CG2' ' A' ' 35' ' ' VAL . 0.6 OUTLIER -66.91 130.08 41.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.281 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.9 mtm-85 -149.29 178.26 8.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -121.15 129.01 53.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.565 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 2.3 m-30 -116.55 114.07 23.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.682 HD11 HD22 ' A' ' 59' ' ' LEU . 1.2 mt -103.58 111.27 23.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.699 HD11 HD11 ' A' ' 76' ' ' ILE . 8.5 tp -88.82 111.95 22.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.806 ' CE1' HG22 ' A' ' 28' ' ' VAL . 8.0 m-30 -94.4 3.71 54.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.764 ' HA ' HD13 ' A' ' 124' ' ' LEU . 1.0 OUTLIER 75.0 37.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.043 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.69 -30.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 110.031 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.7 p -142.83 148.32 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.818 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.0 tm? -104.72 93.96 5.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.614 HG13 ' CE2' ' A' ' 52' ' ' PHE . 8.6 mm -77.04 126.07 37.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.664 ' O ' HD12 ' A' ' 59' ' ' LEU . 27.4 mtm -109.97 131.93 54.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.682 HD22 HD11 ' A' ' 50' ' ' LEU . 3.9 mp -123.61 160.77 26.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.6 m -137.59 130.97 30.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.017 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.07 -172.12 2.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.471 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.1 OUTLIER 172.92 -54.61 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.988 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.2 Cg_endo -74.95 -178.48 4.18 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.86 74.86 1.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 169.72 -35.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.09 -178.62 5.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.997 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -90.92 -125.91 3.3 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.574 1.171 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -131.69 155.36 47.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.783 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.413 ' O ' ' HA ' ' A' ' 59' ' ' LEU . 10.8 ttt -115.64 129.04 56.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -87.18 142.7 27.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 111.068 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -115.53 -72.09 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -138.76 179.32 18.62 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.0 pttt -145.72 134.52 22.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.669 HD11 HD12 ' A' ' 104' ' ' ILE . 9.4 mt -115.4 123.94 30.81 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 127.04 10.38 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.456 1.767 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.699 HD11 HD11 ' A' ' 51' ' ' LEU . 22.1 mm -46.03 -28.53 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.28 -72.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.37 -18.32 55.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.548 1.155 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.696 ' SD ' HD13 ' A' ' 76' ' ' ILE . 12.8 ttm -57.61 137.86 55.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 0.774 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.3 t -132.36 114.81 24.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.475 HG21 HD22 ' A' ' 121' ' ' LEU . 2.6 t -114.21 146.76 18.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.56 ' O ' ' C ' ' A' ' 83' ' ' ARG . 45.1 m-20 -170.59 39.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.56 ' C ' ' O ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER 25.15 49.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.516 ' CD2' ' C ' ' A' ' 94' ' ' PHE . 1.3 mm? 43.79 59.77 2.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.541 ' N ' ' O ' ' A' ' 82' ' ' ASN . 3.7 p30 167.06 139.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -72.83 -9.95 59.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.521 HG22 ' H ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -78.38 -143.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.521 ' H ' HG22 ' A' ' 87' ' ' ILE . 5.9 pt-20 -144.22 56.39 1.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . 144.17 -109.06 0.52 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.52 1.138 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.5 t 66.79 -71.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 0.802 . . . . 0.0 109.991 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 89' ' ' GLY . 0.6 OUTLIER -111.11 177.03 4.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -113.12 86.99 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 108.272 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 171.44 158.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.516 ' C ' ' CD2' ' A' ' 84' ' ' LEU . 16.2 p90 -148.6 168.97 21.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.573 ' HG3' HG23 ' A' ' 97' ' ' THR . 4.4 pt-20 -125.69 154.14 42.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.526 HG23 ' HG3' ' A' ' 79' ' ' MET . 60.0 mt -125.65 91.11 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.573 HG23 ' HG3' ' A' ' 95' ' ' GLU . 62.3 p -99.22 -178.2 3.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.399 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -158.83 -76.36 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.0 t -144.36 31.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 109.997 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.1 p -136.27 -172.43 3.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 102' ' ' GLU . 10.6 m -115.29 -29.3 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 101' ' ' VAL . 0.1 OUTLIER -38.48 -46.35 1.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.438 ' HA ' HG22 ' A' ' 97' ' ' THR . 17.8 ttm105 61.53 135.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.669 HD12 HD11 ' A' ' 74' ' ' ILE . 4.2 mt -99.39 107.9 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.5 t -94.54 98.25 7.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.58 HG13 ' HB ' ' A' ' 34' ' ' VAL . 14.4 t -85.17 110.35 19.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -71.3 126.25 29.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.602 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 30.7 p -50.4 158.95 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 108.303 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.422 ' O ' ' ND2' ' A' ' 110' ' ' ASN . 44.7 t-20 -130.35 -45.96 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 109' ' ' ASN . 1.6 m-80 -154.35 141.36 19.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 112' ' ' GLN . 0.6 OUTLIER -48.77 -71.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.44 ' NE2' ' OD1' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -36.43 -68.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.453 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -48.22 -64.08 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 92.3 t80 -40.27 -63.44 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -40.49 -53.7 2.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.443 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -49.05 -60.58 2.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.695 ' O ' HD12 ' A' ' 121' ' ' LEU . 44.3 m95 -43.84 -52.1 6.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 108.036 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.471 ' CE ' ' HB3' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -59.54 -43.74 93.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 110.979 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -68.25 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.501 ' OE1' ' CG2' ' A' ' 29' ' ' ILE . 9.0 pt20 -51.82 -56.93 10.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.09 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.695 HD12 ' O ' ' A' ' 117' ' ' TRP . 8.6 mt -45.29 -53.52 8.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -41.0 -29.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.44 ' CZ ' ' HB2' ' A' ' 123' ' ' ARG . 11.9 ttm105 -96.64 -59.37 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.764 HD13 ' HA ' ' A' ' 53' ' ' SER . 9.3 mt -42.67 -56.73 3.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 60.6 p -67.77 -42.94 80.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.02 53.6 7.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 24.8 t -122.52 149.02 44.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.966 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 124.65 162.08 11.27 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.431 1.082 . . . . 0.0 111.031 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 106.53 2.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.524 1.802 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.01 130.45 43.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.46 99.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 110.011 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.26 120.38 31.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.76 . . . . 0.0 109.981 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.66 160.25 41.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.011 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.27 114.36 3.16 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.148 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.3 p -154.41 145.16 22.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 0.78 . . . . 0.0 110.003 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -100.95 168.74 9.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.4 -120.61 0.87 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.536 1.147 . . . . 0.0 111.04 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.445 ' C ' ' N ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -131.19 -58.59 1.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 0.743 . . . . 0.0 110.335 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.467 HG21 ' HE1' ' A' ' 31' ' ' MET . 3.3 tt -40.54 -29.63 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.445 ' N ' ' C ' ' A' ' 8' ' ' GLN . 0.4 OUTLIER -124.01 54.8 1.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 8' ' ' GLN . 1.8 t -178.87 -57.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.029 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -77.11 157.56 81.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 125.62 9.48 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.886 ' CD1' HD21 ' A' ' 59' ' ' LEU . 4.3 mt -71.25 124.01 26.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.722 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 4.1 tt0 -57.75 138.38 55.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.722 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 86.5 -39.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.581 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 31.8 t-105 -40.2 111.87 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 20' ' ' ASP . 29.8 mt-10 -70.76 164.69 24.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.258 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -50.87 93.05 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.128 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.0 t0 -165.17 169.11 16.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.845 ' O ' HG22 ' A' ' 24' ' ' THR . 51.4 m-20 -103.5 124.55 48.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.72 HG22 ' HD2' ' A' ' 23' ' ' LYS . 11.9 tt -84.16 -16.65 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.176 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.72 ' HD2' HG22 ' A' ' 22' ' ' ILE . 0.9 OUTLIER -91.51 -2.73 57.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.845 HG22 ' O ' ' A' ' 21' ' ' ASP . 5.1 t -89.47 -19.4 25.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 110.4 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 81.6 mt -70.68 -76.62 0.1 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -161.32 -118.46 0.48 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -150.22 134.81 17.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.789 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.791 HG22 ' HE1' ' A' ' 52' ' ' PHE . 64.9 t -60.29 92.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.253 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.718 HG22 ' N ' ' A' ' 30' ' ' PHE . 8.9 mt -55.08 -79.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.718 ' N ' HG22 ' A' ' 29' ' ' ILE . 14.2 t80 -131.39 126.25 34.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.467 ' HE1' HG21 ' A' ' 9' ' ' ILE . 4.4 ptm -126.22 142.86 51.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.8 t -161.06 160.93 31.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.986 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -76.85 106.25 8.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.432 ' HB ' HG13 ' A' ' 106' ' ' VAL . 22.8 m -108.27 173.1 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.504 ' CG2' ' CD ' ' A' ' 46' ' ' GLU . 2.1 t -124.54 110.81 26.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.5 ' HE2' ' CZ ' ' A' ' 49' ' ' PHE . 2.4 tmm? -132.22 125.95 32.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.88 163.38 13.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -80.37 -76.3 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.608 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.66 97.24 0.11 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 52.59 97.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.323 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.48 -75.34 0.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 108.265 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.407 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -143.47 -81.92 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.407 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 5.2 mm-40 -137.5 -168.89 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -43.5 148.55 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.172 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 36' ' ' MET . 42.9 mm-40 -121.82 88.12 2.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.504 ' CD ' ' CG2' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -69.62 138.43 53.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 mtm-85 -157.62 172.13 19.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -115.58 131.52 56.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.675 ' C ' HD23 ' A' ' 50' ' ' LEU . 2.0 m-30 -118.82 123.5 44.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.815 HD11 HD22 ' A' ' 59' ' ' LEU . 0.5 OUTLIER -112.12 118.94 36.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.882 HD11 HD11 ' A' ' 76' ' ' ILE . 8.8 tp -95.36 115.95 28.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.791 ' HE1' HG22 ' A' ' 28' ' ' VAL . 8.1 m-30 -96.16 4.52 52.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.54 ' CB ' HD11 ' A' ' 29' ' ' ILE . 0.9 OUTLIER 76.27 33.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.38 -32.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.8 p -138.74 144.38 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.763 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.4 tm? -100.32 94.1 6.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.593 HG13 ' CE2' ' A' ' 52' ' ' PHE . 14.8 mm -76.12 133.42 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.582 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 30.8 mtm -118.24 130.69 56.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.886 HD21 ' CD1' ' A' ' 14' ' ' ILE . 2.8 mp -118.63 161.11 20.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.47 118.85 8.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.95 112.26 13.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.16 171.44 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.012 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 50.9 2.62 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.452 1.764 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 65' ' ' MET . 0.0 OUTLIER 173.04 37.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.427 ' HG3' ' N ' ' A' ' 66' ' ' SER . 13.7 ptm 37.13 -157.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.427 ' N ' ' HG3' ' A' ' 65' ' ' MET . 0.6 OUTLIER 64.64 114.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.965 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 58.15 153.85 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.13 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -111.0 163.17 14.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.408 ' O ' ' HA ' ' A' ' 59' ' ' LEU . 10.4 ttt -119.77 128.77 54.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.444 ' CD1' ' CE3' ' A' ' 17' ' ' TRP . 28.3 t80 -87.49 119.7 28.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -86.99 -69.61 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.241 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -148.62 -179.54 24.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 111.026 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -134.49 139.17 45.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 0.746 . . . . 0.0 109.264 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.684 HD11 HD12 ' A' ' 104' ' ' ILE . 8.5 mt -119.89 122.98 28.71 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 129.44 12.39 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.489 1.784 . . . . 0.0 111.032 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.882 HD11 HD11 ' A' ' 51' ' ' LEU . 28.9 mm -56.52 -22.9 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.85 -75.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.87 -15.48 62.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.567 1.167 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.706 ' SD ' HD13 ' A' ' 76' ' ' ILE . 6.4 ttm -54.37 135.36 45.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 0.765 . . . . 0.0 110.958 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.0 t -123.51 108.17 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.588 HG21 HD22 ' A' ' 121' ' ' LEU . 3.7 t -115.48 144.18 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.4 p30 178.11 133.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 84' ' ' LEU . 1.7 ttt180 -40.85 99.08 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.658 HD11 ' HB3' ' A' ' 95' ' ' GLU . 11.7 mt -40.41 -92.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 t0 56.13 17.73 2.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -87.39 -15.43 37.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.502 ' O ' ' CG2' ' A' ' 87' ' ' ILE . 1.4 mm -80.15 0.29 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 87' ' ' ILE . 4.8 pt-20 37.72 81.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 102.88 88.75 2.07 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 t -166.52 -78.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 0.79 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -177.77 175.49 1.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.355 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.517 ' O ' ' CZ ' ' A' ' 114' ' ' PHE . 27.0 p -86.55 72.54 10.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 108.323 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.609 ' CE ' HD13 ' A' ' 84' ' ' LEU . 8.6 ptt? -110.48 -172.43 2.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.428 ' CD2' ' SD ' ' A' ' 118' ' ' MET . 21.8 p90 -156.81 158.27 36.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.658 ' HB3' HD11 ' A' ' 84' ' ' LEU . 22.6 pt-20 -113.13 168.4 9.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.0 mt -131.61 91.69 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.965 HG22 ' HA ' ' A' ' 103' ' ' ARG . 70.6 p -106.03 179.71 4.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.385 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.2 -77.09 0.21 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 83.0 p -178.17 37.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 109.967 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.638 HG22 ' N ' ' A' ' 101' ' ' VAL . 8.5 m -159.96 -105.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.784 ' O ' HG12 ' A' ' 101' ' ' VAL . 30.8 t -140.06 56.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.584 ' CG ' ' O ' ' A' ' 102' ' ' GLU . 9.3 tt0 -118.63 14.43 13.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.965 ' HA ' HG22 ' A' ' 97' ' ' THR . 42.7 ttm180 -41.56 130.9 3.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.684 HD12 HD11 ' A' ' 74' ' ' ILE . 1.8 mt -128.99 109.61 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 25.0 t -89.06 99.27 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.432 HG13 ' HB ' ' A' ' 34' ' ' VAL . 24.0 t -87.71 114.94 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.152 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -91.82 165.27 13.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.547 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 175.61 151.58 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 108.276 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -109.08 -51.58 2.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.335 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -46.58 169.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -118.11 -50.15 2.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.86 -60.42 2.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.68 -61.09 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.577 ' CZ ' ' HG3' ' A' ' 118' ' ' MET . 34.5 t80 -44.71 -52.13 8.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -43.0 -66.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.5 OUTLIER -38.25 -61.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.619 ' HE3' HD11 ' A' ' 121' ' ' LEU . 60.6 m95 -44.17 -53.14 6.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 108.013 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.577 ' HG3' ' CZ ' ' A' ' 114' ' ' PHE . 94.3 mmm -64.97 -28.04 69.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.127 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -71.57 -55.25 8.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.334 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 123' ' ' ARG . 8.2 pt20 -64.86 -58.67 5.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.619 HD11 ' HE3' ' A' ' 117' ' ' TRP . 9.2 mt -46.87 -25.29 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.3 OUTLIER -68.15 -41.84 80.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.472 ' HG3' ' N ' ' A' ' 124' ' ' LEU . 4.5 ptm180 -91.77 -37.9 12.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.814 HD12 HD21 ' A' ' 51' ' ' LEU . 28.5 mt -55.23 -70.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 125' ' ' THR . 19.2 p -62.98 -46.35 88.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.378 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.84 107.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.57 118.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.034 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 160.73 157.2 8.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 155.48 42.7 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.13 100.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.1 t -53.77 113.81 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.985 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.7 t -89.92 -58.44 2.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 0.753 . . . . 0.0 109.976 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.71 169.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.965 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.13 62.86 0.44 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.517 1.135 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.1 t -150.7 164.66 35.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 110.01 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.86 -57.59 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.085 . . . . 0.0 110.032 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 37.73 -148.94 0.06 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 57.87 174.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 110.259 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.859 HG22 ' HG ' ' A' ' 10' ' ' LEU . 46.7 mm -48.23 -94.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.859 ' HG ' HG22 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -134.5 -65.99 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.458 ' H ' HD12 ' A' ' 10' ' ' LEU . 70.8 m -167.61 -65.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.95 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -41.76 155.43 0.23 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 155.47 43.06 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.525 1.802 . . . . 0.0 111.026 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 1.017 HD13 HD21 ' A' ' 59' ' ' LEU . 7.3 mt -74.0 131.69 34.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 17' ' ' TRP . 5.4 tt0 -58.46 146.43 35.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 110.333 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.535 ' O ' ' C ' ' A' ' 17' ' ' TRP . . . 68.4 -67.19 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.754 ' CZ2' HD12 ' A' ' 22' ' ' ILE . 26.1 t-105 31.9 84.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' ASP . 3.4 mt-10 -38.25 146.68 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -39.56 95.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 18' ' ' GLU . 0.7 OUTLIER 177.97 151.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.417 ' HB2' ' CG2' ' A' ' 24' ' ' THR . 90.2 m-20 -91.0 145.56 24.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.754 HD12 ' CZ2' ' A' ' 17' ' ' TRP . 2.8 tt -95.35 -18.06 6.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -84.41 -10.28 57.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.417 ' CG2' ' HB2' ' A' ' 21' ' ' ASP . 10.7 p -86.27 -27.08 24.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.43 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.409 HD22 HG11 ' A' ' 55' ' ' VAL . 41.8 mt -75.52 -89.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.14 165.98 30.08 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -53.71 173.69 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.76 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.779 HG22 ' CE1' ' A' ' 52' ' ' PHE . 86.7 t -97.41 103.37 14.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.646 HD11 ' CB ' ' A' ' 53' ' ' SER . 18.9 mt -43.37 -77.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 109.343 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.612 ' N ' HG22 ' A' ' 29' ' ' ILE . 87.9 t80 -144.01 121.39 11.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.405 ' CE ' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -115.6 149.05 38.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 111.029 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.2 m -161.52 151.89 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.981 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -72.1 103.73 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.241 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.44 ' HB ' HG13 ' A' ' 106' ' ' VAL . 11.7 m -105.86 178.2 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.505 ' CG2' ' CD ' ' A' ' 46' ' ' GLU . 1.4 t -132.35 115.33 25.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.112 . . . . 0.0 109.242 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.445 ' HE2' ' CZ ' ' A' ' 49' ' ' PHE . 1.4 tmm? -134.53 117.14 15.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -124.78 -173.97 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.557 ' CD2' ' HB2' ' A' ' 41' ' ' CYS . 0.9 OUTLIER -112.63 -163.03 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.572 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 38' ' ' HIS . . . -37.58 -71.58 0.2 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.442 1.089 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -140.87 99.41 3.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.775 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.557 ' HB2' ' CD2' ' A' ' 38' ' ' HIS . 0.5 OUTLIER -115.38 51.99 0.9 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 108.291 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 65.5 -75.96 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 41' ' ' CYS . 11.3 mt-10 -139.53 177.25 8.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.415 ' HB2' HG11 ' A' ' 35' ' ' VAL . 3.9 pttt -40.85 154.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 36' ' ' MET . 27.2 mm-40 -118.69 86.36 2.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.505 ' CD ' ' CG2' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -61.76 122.22 14.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.345 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -142.18 176.33 9.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.42 ' HD2' HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -123.69 131.24 53.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.781 ' C ' HD23 ' A' ' 50' ' ' LEU . 2.4 m-30 -116.16 123.42 47.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.781 HD23 ' C ' ' A' ' 49' ' ' PHE . 0.8 OUTLIER -110.22 119.21 38.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.581 HD22 HE21 ' A' ' 120' ' ' GLN . 6.1 tp -95.7 114.94 26.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.779 ' CE1' HG22 ' A' ' 28' ' ' VAL . 9.1 m-30 -98.01 4.43 49.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.646 ' CB ' HD11 ' A' ' 29' ' ' ILE . 1.1 p 73.91 41.29 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.995 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.58 -28.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 110.014 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.409 HG11 HD22 ' A' ' 25' ' ' LEU . 3.3 p -142.09 140.08 29.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.859 HD13 ' O ' ' A' ' 56' ' ' LEU . 1.7 tm? -100.98 94.04 5.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.654 HG13 ' CE2' ' A' ' 52' ' ' PHE . 4.7 mm -79.41 133.39 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.572 ' HG2' ' CE1' ' A' ' 49' ' ' PHE . 25.6 mtm -114.49 125.92 54.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 1.017 HD21 HD13 ' A' ' 14' ' ' ILE . 1.0 OUTLIER -115.23 162.41 17.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.0 118.49 9.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.995 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.56 44.97 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.474 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -59.09 -53.18 68.93 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 62' ' ' SER . 18.3 Cg_endo -75.01 106.94 2.37 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.536 1.808 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.42 125.03 22.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.416 ' O ' ' CB ' ' A' ' 66' ' ' SER . 9.1 tpt 59.0 86.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 65' ' ' MET . 3.9 t 165.13 60.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 44.97 -170.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 111.052 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -106.81 145.49 32.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 0.771 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.429 ' O ' ' HA ' ' A' ' 59' ' ' LEU . 26.5 ttt -100.19 149.7 23.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.438 ' HA ' HD12 ' A' ' 59' ' ' LEU . 9.9 t80 -106.71 132.87 52.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -103.99 -69.72 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.172 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -146.35 172.23 26.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.7 pttt -135.28 142.25 45.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.776 HD12 HD12 ' A' ' 56' ' ' LEU . 3.6 mt -113.35 116.47 46.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.416 ' C ' ' N ' ' A' ' 77' ' ' ALA . 18.3 Cg_endo -74.98 122.29 7.12 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.528 HD12 ' HB2' ' A' ' 124' ' ' LEU . 22.5 mm -40.13 -32.13 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.416 ' N ' ' C ' ' A' ' 75' ' ' PRO . . . -63.86 127.35 31.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 77.49 -7.68 38.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.504 ' HE3' HG22 ' A' ' 74' ' ' ILE . 44.2 ttm -67.38 136.76 55.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 0.769 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.9 t -117.67 112.86 40.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.62 HG21 HD22 ' A' ' 121' ' ' LEU . 3.4 t -114.41 134.19 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 42.9 p30 174.7 147.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 85' ' ' ASP . 3.7 mtm180 -57.78 148.87 23.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.597 HD21 ' HB3' ' A' ' 95' ' ' GLU . 2.4 mm? -70.06 62.08 0.2 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 83' ' ' ARG . 0.5 OUTLIER -178.7 106.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.267 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.15 -9.55 32.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 110.357 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.521 HG22 ' H ' ' A' ' 88' ' ' GLU . 0.4 OUTLIER -73.21 -142.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.521 ' H ' HG22 ' A' ' 87' ' ' ILE . 11.0 mt-10 -145.02 160.23 41.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 40.38 38.96 1.53 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.525 1.14 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.6 t -119.94 55.56 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 0.756 . . . . 0.0 110.027 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.31 133.91 1.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.505 ' O ' ' CG ' ' A' ' 93' ' ' MET . 0.3 OUTLIER -179.71 67.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 108.313 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.505 ' CG ' ' O ' ' A' ' 92' ' ' CYS . 13.9 ptt? 43.12 -167.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.421 ' HE2' HD11 ' A' ' 96' ' ' ILE . 16.7 p90 -141.32 176.89 8.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.597 ' HB3' HD21 ' A' ' 84' ' ' LEU . 6.3 pt-20 -132.95 140.49 47.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.471 HD12 ' HE2' ' A' ' 49' ' ' PHE . 57.8 mt -109.44 99.65 9.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.49 HG22 ' HA ' ' A' ' 103' ' ' ARG . 31.7 p -115.76 -175.4 2.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 173.08 -104.94 0.2 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 54.6 p -96.23 39.89 1.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 0.782 . . . . 0.0 109.965 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.44 174.59 14.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 41.3 t -115.59 -28.3 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -39.02 -44.87 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.49 ' HA ' HG22 ' A' ' 97' ' ' THR . 15.2 ttm180 64.31 122.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.334 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.775 ' CD1' HD11 ' A' ' 74' ' ' ILE . 2.8 mt -90.35 110.32 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.437 HG13 ' SD ' ' A' ' 93' ' ' MET . 44.2 t -94.55 97.31 6.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.44 HG13 ' HB ' ' A' ' 34' ' ' VAL . 21.8 t -85.89 112.37 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -70.31 162.94 27.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.654 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.1 t -97.04 125.47 41.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 108.301 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.8 14.52 10.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -177.54 158.26 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -91.17 -51.26 5.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -61.35 2.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.24 -51.73 8.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.499 ' CE2' ' HG3' ' A' ' 118' ' ' MET . 93.4 t80 -49.47 -66.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -38.7 -44.42 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.258 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.29 -55.21 37.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.627 ' O ' HD12 ' A' ' 121' ' ' LEU . 53.9 m95 -54.35 -54.1 44.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 107.945 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.499 ' HG3' ' CE2' ' A' ' 114' ' ' PHE . 95.6 mmm -57.21 -20.39 26.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.47 -63.04 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.581 HE21 HD22 ' A' ' 51' ' ' LEU . 7.6 pt20 -50.95 -47.66 61.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.252 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.627 HD12 ' O ' ' A' ' 117' ' ' TRP . 4.9 mt -57.98 -41.25 82.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.13 -27.88 55.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.654 ' HG2' HD23 ' A' ' 124' ' ' LEU . 12.6 ttt-85 -82.89 -55.4 4.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.256 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.679 ' N ' HD23 ' A' ' 124' ' ' LEU . 1.4 mt -52.75 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.438 ' OG1' ' N ' ' A' ' 126' ' ' LYS . 60.9 p -54.58 -70.68 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.415 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.438 ' N ' ' OG1' ' A' ' 125' ' ' THR . 0.0 OUTLIER 74.76 75.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.33 -54.99 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -65.8 158.31 47.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 145.83 31.71 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.49 1.784 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.24 -58.47 2.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.21 -61.22 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.987 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.46 166.33 10.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 0.745 . . . . 0.0 110.036 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.04 -56.48 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.68 -89.29 0.71 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.29 146.08 36.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 0.0 110.017 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.2 p -112.59 134.37 54.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.979 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.62 102.46 0.78 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.26 175.49 10.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.873 HG22 ' HG ' ' A' ' 10' ' ' LEU . 2.7 mt -120.65 -99.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.873 ' HG ' HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -130.65 -61.67 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.598 ' H ' HD12 ' A' ' 10' ' ' LEU . 0.5 OUTLIER 164.86 -64.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -45.28 152.51 0.62 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 110.332 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 168.81 24.01 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.989 ' CD1' HD21 ' A' ' 59' ' ' LEU . 8.1 mt -87.69 109.6 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.699 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -60.07 151.09 27.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 85.56 -37.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.53 ' CH2' HD12 ' A' ' 22' ' ' ILE . 30.3 t-105 -39.53 100.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -62.33 174.83 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 20' ' ' ASP . . . -54.23 110.67 1.64 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.471 1.107 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 2.6 m-20 156.21 139.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.665 ' HB2' HG23 ' A' ' 24' ' ' THR . 13.6 m-20 -82.71 152.44 25.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.53 HD12 ' CH2' ' A' ' 17' ' ' TRP . 7.1 tt -84.72 -33.37 8.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.36 -26.54 5.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.665 HG23 ' HB2' ' A' ' 21' ' ' ASP . 33.1 p -61.21 -33.54 73.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.467 HD13 HG11 ' A' ' 55' ' ' VAL . 39.7 mt -77.26 -61.11 2.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 157.86 -141.7 7.96 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.406 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 8.3 m-20 -110.78 -172.42 2.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.763 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.762 HG22 ' HE1' ' A' ' 52' ' ' PHE . 94.0 t -107.94 115.7 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.491 HD11 ' CB ' ' A' ' 53' ' ' SER . 29.1 mt -72.41 -72.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.464 ' N ' HG22 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -126.52 114.4 18.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.678 ' HE2' HD22 ' A' ' 50' ' ' LEU . 38.0 ttm -117.12 126.23 52.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.4 t -160.93 168.88 23.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.016 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -85.87 108.54 18.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.429 ' HB ' HG13 ' A' ' 106' ' ' VAL . 17.4 m -105.89 170.52 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.548 HG22 ' HG3' ' A' ' 46' ' ' GLU . 1.4 t -118.19 110.66 31.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.75 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.5 tmm? -139.27 123.29 17.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.79 -72.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -171.12 -74.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.584 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . 169.62 82.99 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 39' ' ' GLY . . . 66.8 130.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.2 t -178.75 -74.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 108.259 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.425 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 2.3 mp0 -127.15 -73.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 12.5 mm-40 -142.08 -168.34 2.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.0 ptpp? -84.81 138.2 32.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -103.6 91.72 4.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.548 ' HG3' HG22 ' A' ' 35' ' ' VAL . 11.4 mt-10 -69.07 144.93 53.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.446 ' NH1' ' OG ' ' A' ' 60' ' ' SER . 0.1 OUTLIER -162.79 176.96 9.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.417 ' O ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -114.0 131.55 56.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 111.03 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.677 ' HZ ' HD13 ' A' ' 104' ' ' ILE . 1.3 m-30 -120.19 116.83 26.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.78 HD11 HD22 ' A' ' 59' ' ' LEU . 0.6 OUTLIER -102.25 110.51 22.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.524 HD22 ' CE3' ' A' ' 117' ' ' TRP . 10.2 tp -85.77 108.52 18.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.762 ' HE1' HG22 ' A' ' 28' ' ' VAL . 7.9 m-30 -91.62 -3.82 55.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.865 ' HA ' HD13 ' A' ' 124' ' ' LEU . 0.3 OUTLIER 83.93 -13.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.031 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.27 7.9 2.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.042 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.516 HG21 ' HD2' ' A' ' 73' ' ' LYS . 6.8 p -177.88 146.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.788 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.3 tm? -109.03 94.34 4.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.595 HG13 ' CE2' ' A' ' 52' ' ' PHE . 7.0 mm -77.36 133.52 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.587 ' O ' HD12 ' A' ' 59' ' ' LEU . 8.2 mtm -114.95 128.17 56.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.989 HD21 ' CD1' ' A' ' 14' ' ' ILE . 2.1 mp -118.31 155.63 30.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.446 ' OG ' ' NH1' ' A' ' 47' ' ' ARG . 2.2 m -131.9 136.35 47.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.016 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -126.56 98.45 5.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.372 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 p -56.07 159.85 5.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.024 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 58.08 4.75 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 177.25 168.61 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.494 ' O ' ' CB ' ' A' ' 66' ' ' SER . 8.1 tpt -40.8 120.6 1.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 65' ' ' MET . 2.7 t 159.41 123.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 66' ' ' SER . . . -60.4 -133.58 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.745 ' HD2' HD23 ' A' ' 59' ' ' LEU . 13.8 m-30 -109.57 141.15 42.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 0.0 111.012 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.2 ttt -118.49 115.0 23.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.481 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 54.2 t80 -66.74 134.8 52.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -145.95 97.39 2.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.344 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 69.1 159.11 1.78 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.142 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.516 ' HD2' HG21 ' A' ' 55' ' ' VAL . 15.7 pttt -147.82 128.92 14.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.745 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.844 HD11 HD12 ' A' ' 104' ' ' ILE . 7.7 mt -98.13 109.77 53.25 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 130.98 13.76 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.531 1.806 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.844 HD13 ' SD ' ' A' ' 79' ' ' MET . 30.6 mm -49.39 -28.27 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.64 -64.64 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.425 ' O ' ' CA ' ' A' ' 98' ' ' GLY . . . -85.2 13.43 54.81 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.476 1.11 . . . . 0.0 111.043 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.844 ' SD ' HD13 ' A' ' 76' ' ' ILE . 35.5 ttm -82.29 125.54 31.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 111.049 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.8 t -114.18 108.15 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.732 HG21 HD22 ' A' ' 121' ' ' LEU . 3.9 t -108.53 143.63 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -175.53 165.85 3.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -90.49 33.48 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' ARG . 1.0 OUTLIER 40.56 55.68 2.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -97.49 13.27 30.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.754 ' C ' HD13 ' A' ' 87' ' ' ILE . 39.9 mt-10 -67.69 -8.02 31.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.761 ' N ' HD13 ' A' ' 87' ' ' ILE . 0.9 OUTLIER -97.73 -146.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.552 ' H ' HG22 ' A' ' 87' ' ' ILE . 22.7 mt-10 -117.76 99.79 7.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 55.35 66.28 2.95 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.3 t -134.24 90.66 2.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.993 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.407 ' O ' ' CB ' ' A' ' 92' ' ' CYS . 0.6 OUTLIER -110.67 120.64 43.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 91' ' ' ASP . 0.1 OUTLIER 167.01 127.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.275 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 48.1 mtm 59.59 176.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.49 ' HE2' HD11 ' A' ' 96' ' ' ILE . 6.8 p90 -141.5 157.13 45.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.48 ' HB2' ' CG ' ' A' ' 103' ' ' ARG . 5.9 pt-20 -112.3 155.63 23.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.66 HG22 HD13 ' A' ' 74' ' ' ILE . 24.7 mt -129.42 99.52 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.798 HG22 ' HA ' ' A' ' 103' ' ' ARG . 52.6 p -115.12 -175.62 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.425 ' CA ' ' O ' ' A' ' 78' ' ' GLY . . . 154.93 -38.61 0.64 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.58 ' O ' HG23 ' A' ' 100' ' ' THR . 0.1 OUTLIER -52.13 -75.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 110.025 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 99' ' ' SER . 6.5 p -157.48 -78.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.436 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 14.2 m -117.24 -7.65 11.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -66.38 149.7 50.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.798 ' HA ' HG22 ' A' ' 97' ' ' THR . 22.6 ttm180 -141.71 138.2 32.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.844 HD12 HD11 ' A' ' 74' ' ' ILE . 2.5 mt -109.84 112.94 42.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.2 t -94.61 98.01 7.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.429 HG13 ' HB ' ' A' ' 34' ' ' VAL . 14.7 t -87.8 124.72 41.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -85.3 122.64 29.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.626 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 114' ' ' PHE . 32.1 p -52.24 133.28 34.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 108.294 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -91.57 -48.33 6.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.472 ' O ' ' CB ' ' A' ' 114' ' ' PHE . 0.5 OUTLIER -149.98 158.69 44.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.69 -64.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.25 -68.01 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.82 -62.5 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 108' ' ' CYS . 88.0 t80 -45.71 -66.29 0.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 111.007 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -42.2 -46.84 4.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.251 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.01 -61.87 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.817 ' O ' HD12 ' A' ' 121' ' ' LEU . 61.1 m95 -43.7 -53.31 5.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 108.034 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 1.1 mtp -59.45 -38.05 79.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.04 -69.67 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -48.8 -55.1 12.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.817 HD12 ' O ' ' A' ' 117' ' ' TRP . 5.7 mt -47.13 -51.97 16.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.432 ' O ' ' CG ' ' A' ' 126' ' ' LYS . 0.3 OUTLIER -45.8 -27.81 0.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.447 ' HB2' ' NH1' ' A' ' 123' ' ' ARG . 11.1 ttm105 -94.29 -58.2 2.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.865 HD13 ' HA ' ' A' ' 53' ' ' SER . 9.5 mt -38.16 -69.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 50.4 p -52.6 -48.71 66.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.415 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.432 ' CG ' ' O ' ' A' ' 122' ' ' ASN . 0.0 OUTLIER -41.61 -66.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 55.6 m 60.03 115.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.011 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 118.85 159.19 10.99 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 129.79 12.66 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.8 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 13.1 p -75.44 -55.24 5.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.996 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.62 118.99 22.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.971 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.952 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.7 t -136.53 134.22 37.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.756 . . . . 0.0 109.972 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 p -96.75 143.11 27.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.018 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.3 157.02 22.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.444 1.09 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -62.69 153.79 31.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 0.754 . . . . 0.0 110.026 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 t -84.27 124.14 30.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.107 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.12 82.54 0.07 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -121.89 166.86 13.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.876 HG22 ' HG ' ' A' ' 10' ' ' LEU . 47.0 mm -52.75 -100.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.876 ' HG ' HG22 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -132.0 -60.07 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.71 -73.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.986 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -57.8 157.04 16.02 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 176.0 10.46 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.465 1.771 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.802 ' CD1' HD21 ' A' ' 59' ' ' LEU . 4.2 mt -84.49 159.08 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.556 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 8.0 tt0 -104.03 134.94 46.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 75.8 33.23 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.583 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 60.0 t-105 -89.7 119.49 30.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 107.971 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 20' ' ' ASP . 55.9 mt-10 -57.02 166.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.13 76.41 0.05 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 18' ' ' GLU . 8.1 p-10 -160.32 170.51 20.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 0.785 . . . . 0.0 109.245 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.906 ' O ' HG22 ' A' ' 24' ' ' THR . 1.0 OUTLIER -103.5 139.82 38.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.583 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 5.8 tt -80.41 -27.68 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -81.42 -5.25 57.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.906 HG22 ' O ' ' A' ' 21' ' ' ASP . 2.4 t -87.57 -27.55 22.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.9 mt -72.39 -67.82 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.24 156.43 10.71 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.465 1.103 . . . . 0.0 111.026 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 -57.71 155.59 9.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 0.768 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.868 HG22 ' CE1' ' A' ' 52' ' ' PHE . 95.8 t -82.37 108.5 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.675 HD11 ' CB ' ' A' ' 53' ' ' SER . 35.0 mt -59.97 -74.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.565 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.3 OUTLIER -125.43 122.02 35.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 111.024 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.526 ' HE3' HD22 ' A' ' 50' ' ' LEU . 37.4 ttm -122.63 117.64 26.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.82 171.68 15.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.017 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -94.32 107.1 19.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.355 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.484 ' HB ' ' CG1' ' A' ' 106' ' ' VAL . 10.6 m -109.9 178.17 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.506 ' CG2' ' CD ' ' A' ' 46' ' ' GLU . 1.6 t -126.08 113.68 35.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.701 ' HG3' HG23 ' A' ' 104' ' ' ILE . 2.8 tmm? -133.64 126.17 30.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.11 -179.48 4.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.484 ' NE2' ' HB3' ' A' ' 40' ' ' ALA . 5.7 p-80 -101.67 -161.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.586 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.82 59.09 0.51 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.484 ' HB3' ' NE2' ' A' ' 38' ' ' HIS . . . -176.82 107.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 0.742 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.47 ' O ' ' O ' ' A' ' 42' ' ' GLU . 0.8 OUTLIER -46.99 -91.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 108.314 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER 44.3 99.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.292 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 42' ' ' GLU . 9.0 pt-20 45.5 -172.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.338 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.5 pttm -105.84 143.33 34.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 36' ' ' MET . 56.5 mm-40 -104.1 89.74 3.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.506 ' CD ' ' CG2' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -73.01 131.16 41.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 -150.82 152.7 34.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -97.2 121.4 39.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.602 ' C ' HD23 ' A' ' 50' ' ' LEU . 1.7 m-30 -107.18 114.86 29.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.65 HD11 HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -105.46 110.77 23.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.881 HD11 HD11 ' A' ' 76' ' ' ILE . 6.7 tp -89.36 108.7 19.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.868 ' CE1' HG22 ' A' ' 28' ' ' VAL . 7.9 m-30 -90.88 4.3 52.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.745 ' HA ' HD13 ' A' ' 124' ' ' LEU . 1.0 OUTLIER 74.55 36.01 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.033 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.7 t -179.09 -32.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.016 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.445 HG21 ' CD ' ' A' ' 73' ' ' LYS . 7.1 p -141.5 147.96 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.681 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.7 tm? -102.98 94.17 5.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.606 HG13 ' CE2' ' A' ' 52' ' ' PHE . 14.2 mm -77.53 124.09 35.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.249 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.684 ' O ' HD12 ' A' ' 59' ' ' LEU . 39.9 mtm -108.73 134.48 51.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.802 HD21 ' CD1' ' A' ' 14' ' ' ILE . 5.4 mp -123.55 159.37 29.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 p -139.26 127.14 22.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -101.03 95.15 6.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.82 167.95 0.25 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 56.05 4.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.765 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -179.99 116.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.42 ' O ' ' HG3' ' A' ' 65' ' ' MET . 2.1 ptm -38.89 117.86 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 65' ' ' MET . 3.2 t 178.95 73.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.036 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 66' ' ' SER . . . 37.05 -153.44 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.5 ' CB ' HD23 ' A' ' 59' ' ' LEU . 31.0 m-85 -112.12 169.28 8.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 0.761 . . . . 0.0 110.954 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.0 ttt -133.39 124.09 26.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -76.2 118.14 18.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -94.94 -60.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.171 . . . . 0.0 110.274 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.48 ' O ' ' CE ' ' A' ' 58' ' ' MET . . . -156.73 160.6 30.42 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.445 ' CD ' HG21 ' A' ' 55' ' ' VAL . 1.1 pttp -126.87 150.73 49.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 0.724 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.682 ' HB ' ' HE1' ' A' ' 79' ' ' MET . 9.3 mt -125.33 133.46 24.87 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 74' ' ' ILE . 18.3 Cg_endo -75.02 128.64 11.63 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.476 1.777 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.881 HD11 HD11 ' A' ' 51' ' ' LEU . 12.1 mm -55.68 -35.21 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.38 -87.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -42.99 -26.16 0.44 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.682 ' HE1' ' HB ' ' A' ' 74' ' ' ILE . 6.2 tpp -41.94 154.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 0.73 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.4 t -144.16 108.29 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.3 t -122.35 133.14 69.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -156.8 33.26 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 42.12 39.0 1.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.48 HD13 ' HA ' ' A' ' 84' ' ' LEU . 1.3 mm? 67.97 84.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -113.82 9.87 17.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -78.84 -1.31 34.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.551 HG22 ' H ' ' A' ' 88' ' ' GLU . 0.5 OUTLIER -111.68 -145.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.551 ' H ' HG22 ' A' ' 87' ' ' ILE . 74.3 mt-10 -142.18 57.5 1.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 113.28 97.6 2.29 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.19 111.41 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.973 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -126.04 117.76 23.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.254 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 17.8 t -177.74 -61.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 108.336 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -117.24 -169.35 1.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.438 ' HE2' HD11 ' A' ' 96' ' ' ILE . 4.3 p90 -148.98 160.34 43.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.588 ' HG3' HG23 ' A' ' 97' ' ' THR . 5.1 pt-20 -118.69 144.33 46.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.564 HD12 ' HE2' ' A' ' 49' ' ' PHE . 26.8 mt -114.96 95.82 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 1.016 HG22 ' HA ' ' A' ' 103' ' ' ARG . 45.9 p -107.56 175.72 5.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.453 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -176.51 38.46 0.1 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.32 -173.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 0.779 . . . . 0.0 109.983 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.409 ' O ' HG23 ' A' ' 100' ' ' THR . 11.7 t -102.39 41.27 1.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.365 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 1.5 p -170.01 -42.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.85 155.73 22.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 1.016 ' HA ' HG22 ' A' ' 97' ' ' THR . 32.0 ttp180 -179.78 112.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.701 HG23 ' HG3' ' A' ' 36' ' ' MET . 4.4 mt -106.62 131.82 55.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 47.7 t -112.99 98.41 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.484 ' CG1' ' HB ' ' A' ' 34' ' ' VAL . 3.4 t -86.92 125.85 40.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -77.97 165.11 24.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.608 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 30.6 p -172.58 157.68 3.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 108.284 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -108.43 16.09 23.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 64.05 85.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -135.47 -175.77 4.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -27.8 65.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.98 -57.4 9.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -52.37 -62.25 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.2 -38.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.18 -53.39 55.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.78 ' O ' HD12 ' A' ' 121' ' ' LEU . 50.1 m95 -48.3 -43.19 32.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 107.982 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 88.2 mmm -69.9 -38.24 76.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 122' ' ' ASN . 0.0 OUTLIER -61.27 -52.38 64.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 110.253 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.512 ' O ' ' CG ' ' A' ' 123' ' ' ARG . 1.5 pt20 -66.83 -55.9 12.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.78 HD12 ' O ' ' A' ' 117' ' ' TRP . 7.9 mt -48.72 -25.66 1.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.3 OUTLIER -66.65 -26.72 67.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.73 ' HG3' HD23 ' A' ' 124' ' ' LEU . 0.6 OUTLIER -104.98 -26.7 12.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.745 HD13 ' HA ' ' A' ' 53' ' ' SER . 10.0 mt -72.68 -58.42 3.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 121' ' ' LEU . 19.6 p -68.3 -51.4 45.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 42.87 45.75 4.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 44.1 t -130.98 98.67 4.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.942 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 175.07 -175.33 47.09 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -49.47 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 179.38 -57.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.003 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.32 140.2 10.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.986 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 O-C-N 124.517 1.136 . . . . 0.0 110.991 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -147.2 85.42 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.0 m -135.64 151.46 50.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.985 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.25 147.66 19.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.14 -55.55 2.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.968 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m 62.88 125.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.71 -154.77 25.72 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.421 ' C ' ' N ' ' A' ' 10' ' ' LEU . 1.7 mp0 -110.85 127.79 55.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.699 HD11 ' CE ' ' A' ' 31' ' ' MET . 3.7 tt -39.4 -32.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.636 HD12 ' H ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -151.4 -62.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.636 ' H ' HD12 ' A' ' 10' ' ' LEU . 61.1 m -157.48 -64.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.011 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -77.77 153.71 80.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -165.26 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.541 1.811 . . . . 0.0 111.039 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 1.003 ' CD1' HD21 ' A' ' 59' ' ' LEU . 4.4 mt -95.15 149.21 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -97.03 134.12 40.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 66.07 34.07 7.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 39.8 t-105 -62.61 152.23 35.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 108.023 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -157.0 177.73 11.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 63.03 74.57 0.41 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 49.5 -176.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 109.317 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.53 171.43 6.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.6 tt -89.39 -21.41 6.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.07 -4.21 58.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.3 p -97.94 -23.13 15.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.362 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.2 mt -69.33 -69.47 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 178.41 -123.19 0.85 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.137 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -141.8 145.99 35.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.842 HG22 ' HE1' ' A' ' 52' ' ' PHE . 85.7 t -70.55 95.38 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.7 HG22 ' N ' ' A' ' 30' ' ' PHE . 8.8 mt -48.31 -79.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.7 ' N ' HG22 ' A' ' 29' ' ' ILE . 43.2 t80 -137.42 121.47 17.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.699 ' CE ' HD11 ' A' ' 9' ' ' ILE . 1.6 ptm -114.86 146.39 41.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.5 m -161.35 154.76 21.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -74.79 104.73 5.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.463 ' HB ' ' CG1' ' A' ' 106' ' ' VAL . 10.3 m -106.88 179.16 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.429 HG22 ' CG ' ' A' ' 46' ' ' GLU . 2.2 t -133.26 115.14 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.873 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.6 tmm? -135.15 123.18 22.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.411 ' CB ' ' HB3' ' A' ' 45' ' ' GLU . 3.0 tm0? -128.61 169.81 13.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -111.82 105.53 14.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.628 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.12 -130.2 50.67 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -126.39 128.15 46.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 13.1 t -132.81 -63.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 108.295 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.424 ' C ' ' CG ' ' A' ' 43' ' ' GLU . 16.0 mt-10 -144.29 -59.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' CG ' ' C ' ' A' ' 42' ' ' GLU . 5.1 mt-10 -153.29 -178.06 6.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.35 155.52 2.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 36' ' ' MET . 4.7 tp10 -119.46 105.44 11.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.429 ' CG ' HG22 ' A' ' 35' ' ' VAL . 11.8 mt-10 -79.65 146.97 32.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.446 ' NH1' ' SD ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -162.72 172.77 14.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 110.273 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -120.33 119.54 33.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.744 ' C ' HD23 ' A' ' 50' ' ' LEU . 2.1 m-30 -103.7 127.31 51.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.798 HD11 HD22 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -115.89 114.92 25.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.805 HD21 HD12 ' A' ' 124' ' ' LEU . 7.4 tp -90.86 113.9 26.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.842 ' HE1' HG22 ' A' ' 28' ' ' VAL . 8.5 m-30 -97.58 4.02 50.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.528 ' HB3' HD11 ' A' ' 29' ' ' ILE . 1.1 p 74.26 41.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.028 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 171.4 -29.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.969 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.719 HG21 ' HD3' ' A' ' 73' ' ' LYS . 3.5 p -142.83 139.98 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.774 HD13 ' O ' ' A' ' 56' ' ' LEU . 1.7 tm? -100.99 95.79 6.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.594 HG13 ' CE2' ' A' ' 52' ' ' PHE . 8.4 mm -78.54 139.12 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.368 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.699 ' O ' HD12 ' A' ' 59' ' ' LEU . 9.5 mtm -120.15 127.16 52.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 111.042 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 1.003 HD21 ' CD1' ' A' ' 14' ' ' ILE . 6.5 mp -122.72 156.37 34.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.3 p -140.14 130.43 25.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.036 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.97 106.87 15.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.471 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.1 OUTLIER 172.96 -54.72 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.019 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.3 Cg_endo -75.02 -179.02 4.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 64.25 -76.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 63' ' ' PRO . 4.2 ttp -178.69 -65.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.1 t -148.52 -173.25 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.031 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 71.07 -131.91 20.96 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.472 ' CG ' HD23 ' A' ' 59' ' ' LEU . 39.8 m-85 -140.32 155.68 46.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 111.01 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.9 ttt -131.02 110.23 11.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -60.8 137.03 58.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -140.74 78.06 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 76.26 167.76 25.4 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.719 ' HD3' HG21 ' A' ' 55' ' ' VAL . 11.4 ptpt -149.3 132.64 16.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.771 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.675 HD11 ' CD1' ' A' ' 104' ' ' ILE . 4.4 mt -102.59 113.87 65.65 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 132.18 15.18 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.479 1.778 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.427 HD13 ' SD ' ' A' ' 79' ' ' MET . 21.3 mm -50.09 -41.48 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.82 121.77 7.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 84.83 -32.55 3.44 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.559 ' CE ' HG22 ' A' ' 74' ' ' ILE . 40.3 ttm -37.24 145.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 0.805 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.5 t -128.05 107.89 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.88 HG21 HD22 ' A' ' 121' ' ' LEU . 3.7 t -107.29 145.5 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 167.82 146.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 85' ' ' ASP . 12.7 ptt180 -72.89 57.02 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 mm? 57.07 -87.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 83' ' ' ARG . 5.8 t0 61.28 14.68 5.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.888 ' C ' HD13 ' A' ' 87' ' ' ILE . 9.1 mt-10 -103.18 -5.1 23.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.888 HD13 ' C ' ' A' ' 86' ' ' GLU . 1.0 OUTLIER -105.48 -145.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.535 ' H ' HG22 ' A' ' 87' ' ' ILE . 46.0 mt-10 -148.03 131.46 16.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 43.06 54.08 5.36 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.61 72.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 110.008 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -130.15 112.48 13.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.345 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 3.6 p -145.88 -50.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 108.287 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -97.75 -179.13 4.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.48 ' N ' ' CD1' ' A' ' 94' ' ' PHE . 2.9 p90 -130.21 176.64 7.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.429 ' HG3' HG23 ' A' ' 97' ' ' THR . 3.5 pt-20 -129.0 145.01 51.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 110.264 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.1 mt -119.73 99.39 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.984 HG22 ' HA ' ' A' ' 103' ' ' ARG . 11.3 p -113.26 -175.02 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.389 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -139.83 -72.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.051 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.421 ' O ' ' HB ' ' A' ' 100' ' ' THR . 28.4 t -100.51 -75.85 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.754 . . . . 0.0 109.975 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 99' ' ' SER . 1.3 t 179.88 53.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.426 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.672 HG22 ' O ' ' A' ' 101' ' ' VAL . 2.5 p -178.77 52.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.369 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' ' 103' ' ' ARG . 0.3 OUTLIER -146.99 -70.62 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.262 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.984 ' HA ' HG22 ' A' ' 97' ' ' THR . 22.0 ttt180 43.03 94.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.873 HG23 ' HG3' ' A' ' 36' ' ' MET . 6.7 mt -103.67 106.53 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 28.7 t -82.69 98.19 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.594 HG23 HG22 ' A' ' 104' ' ' ILE . 43.2 t -91.65 115.45 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -72.28 162.83 28.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.596 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 109' ' ' ASN . 5.8 p -170.15 -47.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 108.311 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 108' ' ' CYS . 4.8 t-20 82.33 18.56 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 65.25 85.57 0.14 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -131.24 -172.62 2.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.6 -63.84 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -40.2 -52.14 2.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.575 ' CE1' ' HG3' ' A' ' 118' ' ' MET . 23.3 t80 -48.4 -59.6 3.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -38.09 -64.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.321 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.7 OUTLIER -42.28 -58.14 2.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.308 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.73 ' O ' HD12 ' A' ' 121' ' ' LEU . 59.4 m95 -47.59 -47.33 28.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 108.002 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.575 ' HG3' ' CE1' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -67.57 -26.24 66.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.551 1.157 . . . . 0.0 111.041 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -70.65 -53.43 15.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 110.295 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 123' ' ' ARG . 6.9 pt20 -68.58 -55.88 10.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.88 HD22 HG21 ' A' ' 81' ' ' VAL . 5.8 mt -49.5 -24.02 1.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.4 OUTLIER -69.65 -28.1 65.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 120' ' ' GLN . 2.5 ptp180 -105.68 -36.43 7.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.805 HD12 HD21 ' A' ' 51' ' ' LEU . 23.2 mt -56.59 -81.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.436 ' H ' HG23 ' A' ' 125' ' ' THR . 71.1 p -42.39 -43.81 3.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.364 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -39.96 -68.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 50.6 m 60.51 166.44 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 123.26 177.42 15.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 68.49 5.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.49 1.784 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.4 t -91.5 -55.38 3.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.61 93.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.015 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.6 p -129.63 118.47 22.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 0.796 . . . . 0.0 110.002 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -78.2 166.74 22.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.0 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.07 99.4 2.56 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.69 -58.06 2.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 110.047 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.1 m -101.08 169.5 8.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.49 -135.28 1.2 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.147 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 10' ' ' LEU . 40.0 mt-30 60.27 172.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.834 HD11 ' CE ' ' A' ' 31' ' ' MET . 24.1 mm 66.64 -72.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.752 ' HG ' HG22 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -121.16 52.26 1.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.18 -60.97 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -79.7 154.33 75.89 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 128.65 11.64 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.484 1.781 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.895 HD13 HD21 ' A' ' 59' ' ' LEU . 5.5 mt -85.17 110.95 19.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.719 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 4.4 tt0 -49.67 134.76 19.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.331 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 86.5 -42.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.571 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 31.6 t-105 -39.54 114.4 0.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 107.989 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -155.31 137.51 14.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.078 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.72 -94.95 0.5 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -100.54 165.58 11.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.786 ' O ' HG22 ' A' ' 24' ' ' THR . 1.6 m-20 -79.02 169.16 18.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.571 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 3.7 tt -92.79 -33.17 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.582 ' HD3' HD22 ' A' ' 10' ' ' LEU . 6.5 mmmt -73.91 -7.1 51.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.786 HG22 ' O ' ' A' ' 21' ' ' ASP . 6.7 t -87.74 -24.57 23.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.4 mt -77.49 -77.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 174.36 164.55 29.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -61.31 170.68 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.681 HG22 ' HE1' ' A' ' 52' ' ' PHE . 74.1 t -93.19 102.1 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.651 HD11 ' HB3' ' A' ' 53' ' ' SER . 44.1 mt -54.13 -78.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.57 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.5 OUTLIER -129.09 126.25 38.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 111.025 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.834 ' CE ' HD11 ' A' ' 9' ' ' ILE . 13.1 ptm -127.15 127.5 44.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.7 p -154.57 150.88 28.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.04 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -73.46 104.82 4.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 46' ' ' GLU . 15.2 m -105.3 177.57 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 t -126.41 112.71 30.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.832 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.7 tmm? -133.09 123.69 26.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.457 ' HB3' ' CG ' ' A' ' 45' ' ' GLU . 4.9 pt20 -128.91 -174.47 3.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -99.54 -59.17 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.575 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -157.42 -125.5 0.85 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.78 86.46 2.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.1 m -108.6 177.03 4.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 108.258 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.24 -72.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' LYS . 12.9 mt-10 -142.95 178.57 7.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' GLU . 38.2 mttm -39.61 140.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.457 ' CG ' ' HB3' ' A' ' 37' ' ' GLN . 5.8 mm-40 -103.44 82.41 2.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 34' ' ' VAL . 1.4 mt-10 -70.03 140.07 52.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 60' ' ' SER . 0.0 OUTLIER -154.37 174.64 14.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.415 ' O ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -119.67 118.77 31.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 111.018 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.543 ' CE1' ' HG2' ' A' ' 58' ' ' MET . 2.1 m-30 -107.37 118.16 35.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.817 HD11 HD22 ' A' ' 59' ' ' LEU . 1.6 mt -108.55 110.18 21.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.77 HD21 HD12 ' A' ' 124' ' ' LEU . 7.0 tp -85.8 112.77 21.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.681 ' HE1' HG22 ' A' ' 28' ' ' VAL . 6.8 m-30 -94.56 4.43 53.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.651 ' HB3' HD11 ' A' ' 29' ' ' ILE . 1.3 p 74.4 42.5 0.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.64 -28.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.006 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.475 HG21 ' HD3' ' A' ' 73' ' ' LYS . 5.6 p -143.03 144.66 23.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.749 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.2 tm? -102.72 94.37 5.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.619 HG22 HD13 ' A' ' 59' ' ' LEU . 15.1 mm -77.35 130.38 36.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.651 ' O ' HD12 ' A' ' 59' ' ' LEU . 32.5 mtm -112.74 121.93 46.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.895 HD21 HD13 ' A' ' 14' ' ' ILE . 3.7 mp -122.07 160.14 25.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 47' ' ' ARG . 22.7 t -150.25 153.9 37.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.04 98.05 5.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.68 168.35 12.8 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.974 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 69.81 5.49 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.535 1.808 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.97 -58.21 1.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 169.69 -35.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.66 -176.35 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.993 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.8 146.2 19.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.638 ' CD2' HD23 ' A' ' 59' ' ' LEU . 12.3 m-30 -106.48 135.15 48.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 110.983 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.402 ' O ' ' HA ' ' A' ' 59' ' ' LEU . 14.0 ttt -105.62 125.59 51.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.503 ' CD1' ' CE3' ' A' ' 17' ' ' TRP . 68.8 t80 -88.18 106.64 18.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.413 ' HG2' ' NH2' ' A' ' 47' ' ' ARG . 6.8 mm-40 -80.11 -67.81 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -151.43 174.67 30.54 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.475 ' HD3' HG21 ' A' ' 55' ' ' VAL . 2.4 ptpt -130.91 152.53 50.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.602 ' CG2' ' CE ' ' A' ' 79' ' ' MET . 6.3 mt -131.77 121.61 18.17 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.13 8.4 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.782 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.731 HD11 HD11 ' A' ' 51' ' ' LEU . 32.0 mm -50.23 -25.56 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.73 -67.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.65 -6.7 59.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.602 ' CE ' ' CG2' ' A' ' 74' ' ' ILE . 4.5 ttm -70.72 134.87 47.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 110.984 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.1 t -124.16 109.21 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.483 ' HB ' HG21 ' A' ' 125' ' ' THR . 3.1 t -117.27 147.49 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.463 ' O ' HD12 ' A' ' 84' ' ' LEU . 7.0 p30 177.24 128.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 85' ' ' ASP . 0.2 OUTLIER -40.99 114.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.988 HD11 ' HG2' ' A' ' 95' ' ' GLU . 8.7 mp -67.66 70.81 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 83' ' ' ARG . 5.2 t0 -118.33 14.3 13.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.705 ' C ' HD13 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -64.24 -10.85 26.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 110.288 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.763 ' N ' HD13 ' A' ' 87' ' ' ILE . 0.9 OUTLIER -95.43 -146.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.562 ' H ' HG22 ' A' ' 87' ' ' ILE . 5.8 pt-20 -103.93 46.6 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 91' ' ' ASP . . . 96.34 -83.51 0.81 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.123 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.8 t 66.59 -74.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 110.025 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 89' ' ' GLY . 12.7 t0 -179.75 164.82 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.6 m -55.6 -100.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 108.27 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 84.8 mtp 51.23 175.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.711 ' HA ' HD13 ' A' ' 84' ' ' LEU . 3.1 p90 -162.4 174.37 12.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.988 ' HG2' HD11 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -128.01 155.15 44.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.584 HG23 ' SD ' ' A' ' 79' ' ' MET . 16.2 mt -128.22 91.9 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.373 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.824 HG23 ' OE2' ' A' ' 95' ' ' GLU . 15.7 p -102.7 -175.44 2.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.435 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 111.72 98.46 2.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.8 p 179.55 -59.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.716 HG23 HG12 ' A' ' 101' ' ' VAL . 11.5 t -167.17 -48.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.362 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.716 HG12 HG23 ' A' ' 100' ' ' THR . 2.5 p -179.14 57.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -141.46 142.97 33.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.439 ' HA ' HG22 ' A' ' 97' ' ' THR . 10.6 ttm180 -123.2 132.84 54.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.832 HG23 ' HG3' ' A' ' 36' ' ' MET . 9.2 mt -105.99 116.97 50.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' ' 105' ' ' VAL . 2.9 t -98.05 98.01 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.559 ' HB ' ' CE1' ' A' ' 94' ' ' PHE . 17.1 t -82.72 109.15 16.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.231 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.4 ' O ' ' SG ' ' A' ' 108' ' ' CYS . 4.4 m-70 -70.11 147.1 50.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.599 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 107' ' ' HIS . 0.8 OUTLIER 167.51 88.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 108.274 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 -40.23 -54.61 2.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.7 t30 173.02 156.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 114' ' ' PHE . 0.7 OUTLIER 167.12 142.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.588 1.18 . . . . 0.0 109.254 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -42.98 -30.64 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.77 -50.0 66.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.475 ' CE2' ' HG3' ' A' ' 118' ' ' MET . 52.5 t80 -53.25 -48.86 67.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -45.37 -54.26 7.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 119' ' ' GLU . 1.5 tt0 -49.57 -58.06 5.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.648 ' HE3' HD11 ' A' ' 121' ' ' LEU . 61.1 m95 -44.55 -50.81 9.42 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.475 ' HG3' ' CE2' ' A' ' 114' ' ' PHE . 89.2 mmm -67.54 -29.0 68.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -71.83 -51.54 21.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.459 ' O ' ' CG ' ' A' ' 123' ' ' ARG . 9.1 pt20 -67.62 -56.49 9.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.332 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.648 HD11 ' HE3' ' A' ' 117' ' ' TRP . 7.9 mt -50.05 -23.88 2.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 118' ' ' MET . 0.3 OUTLIER -70.14 -30.12 67.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.459 ' CG ' ' O ' ' A' ' 120' ' ' GLN . 12.2 ptm180 -102.98 -38.35 7.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.77 HD12 HD21 ' A' ' 51' ' ' LEU . 18.9 mt -53.5 -74.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.483 HG21 ' HB ' ' A' ' 81' ' ' VAL . 69.9 p -46.07 -57.87 4.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.418 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -169.86 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 44.2 t -134.42 94.51 3.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 110.012 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -54.62 153.87 9.87 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.532 1.145 . . . . 0.0 111.04 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 131.46 14.32 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.444 1.76 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.51 88.66 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.8 t -94.01 -58.63 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.112 . . . . 0.0 110.975 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 m -72.42 160.58 32.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 109.991 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.63 164.91 4.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.85 64.5 0.52 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.461 1.101 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.86 101.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 0.801 . . . . 0.0 109.999 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 p -139.55 159.76 41.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.981 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.62 118.18 0.6 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -117.31 -179.06 3.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.783 . . . . 0.0 110.307 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.442 HD11 HD13 ' A' ' 50' ' ' LEU . 13.5 mm -69.64 152.03 9.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.752 HD12 ' N ' ' A' ' 11' ' ' SER . 3.7 pp -40.39 -56.66 1.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.752 ' N ' HD12 ' A' ' 10' ' ' LEU . 0.5 OUTLIER 166.35 -66.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.985 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.474 ' H ' HD12 ' A' ' 10' ' ' LEU . 7.1 mt-10 -43.81 166.36 0.11 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 147.02 33.65 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.507 1.793 . . . . 0.0 111.061 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.761 ' CD1' HD21 ' A' ' 59' ' ' LEU . 9.3 mt -71.68 132.83 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -67.41 153.16 44.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 50.84 51.66 16.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.566 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 68.5 t-105 -99.92 137.45 38.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 108.002 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -141.65 138.74 32.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.259 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 145.66 -117.04 0.94 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.39 -50.7 1.0 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.952 ' O ' HG22 ' A' ' 24' ' ' THR . 0.2 OUTLIER -173.47 143.31 1.04 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.362 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.566 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 9.9 tt -74.44 -15.12 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -92.65 -6.58 49.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.952 HG22 ' O ' ' A' ' 21' ' ' ASP . 4.3 t -88.26 -24.81 23.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.406 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.5 mt -73.85 -81.85 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.01 162.79 28.09 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -60.43 167.44 2.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.808 HG22 ' CE1' ' A' ' 52' ' ' PHE . 64.9 t -94.24 102.07 13.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.599 HG22 ' N ' ' A' ' 30' ' ' PHE . 13.7 mt -55.62 -78.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.599 ' N ' HG22 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -121.07 121.68 38.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.705 ' HG3' HD22 ' A' ' 50' ' ' LEU . 11.9 ttm -125.51 127.94 47.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.39 172.17 17.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -85.91 106.64 17.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.43 ' HB ' ' CG1' ' A' ' 106' ' ' VAL . 4.2 m -106.14 176.65 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.541 HG22 ' HA ' ' A' ' 46' ' ' GLU . 2.1 t -131.86 118.85 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.863 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.2 tmm? -138.83 119.31 13.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -112.72 149.27 33.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.343 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -79.02 -68.45 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.586 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -136.25 -124.52 2.38 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.473 1.108 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -111.28 112.31 23.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 0.8 . . . . 0.0 109.252 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.7 t -126.8 -74.11 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 108.315 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.416 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 0.6 OUTLIER -137.17 -79.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.261 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.416 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 5.1 mm-40 -138.78 -169.67 2.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 110.3 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -47.35 147.48 1.6 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 36' ' ' MET . 17.6 tt0 -111.11 98.68 7.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.541 ' HA ' HG22 ' A' ' 35' ' ' VAL . 1.2 tm-20 -82.39 130.15 35.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 110.249 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.96 178.93 8.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -117.56 134.46 54.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.993 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.8 ' C ' HD23 ' A' ' 50' ' ' LEU . 1.6 m-30 -120.58 125.32 47.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.822 HD11 HD22 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -115.25 112.57 22.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.609 HD11 HD11 ' A' ' 76' ' ' ILE . 6.3 tp -87.22 113.56 23.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.808 ' CE1' HG22 ' A' ' 28' ' ' VAL . 6.3 m-30 -99.75 5.86 45.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.941 ' HA ' HD13 ' A' ' 124' ' ' LEU . 48.2 t 68.5 40.5 1.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.955 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 t 178.71 -30.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.034 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.3 p -148.41 146.63 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.641 HD11 ' CE1' ' A' ' 49' ' ' PHE . 3.1 tm? -99.75 93.75 5.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.248 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.584 HG13 ' CE2' ' A' ' 52' ' ' PHE . 26.2 mm -75.71 129.27 37.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.68 ' O ' HD12 ' A' ' 59' ' ' LEU . 18.5 mtm -113.11 133.61 54.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.822 HD22 HD11 ' A' ' 50' ' ' LEU . 5.9 mp -122.39 159.17 28.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.7 m -141.37 133.84 28.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -112.74 -173.71 2.31 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.469 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.1 OUTLIER 173.23 -55.13 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.469 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.4 Cg_endo -75.0 -174.36 1.91 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.507 1.793 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.4 ' O ' ' CG ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -133.48 67.8 1.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.29 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.9 ptm 173.06 -35.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.01 158.04 25.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.984 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.72 -118.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.459 ' CG ' HD23 ' A' ' 59' ' ' LEU . 13.9 m-85 -127.2 170.65 12.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.746 . . . . 0.0 111.051 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.0 ttt -127.4 115.96 19.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 70' ' ' TYR . 2.7 t80 -67.49 140.92 57.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -144.0 95.11 2.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.277 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 61.66 163.97 0.28 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.3 pttt -149.78 125.49 10.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.623 HD11 ' CD1' ' A' ' 104' ' ' ILE . 7.9 mt -98.92 121.81 54.7 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 127.45 10.67 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.899 HD13 ' SD ' ' A' ' 79' ' ' MET . 16.2 mm -56.98 -24.39 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.9 -67.64 0.25 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -88.03 24.47 11.05 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.899 ' SD ' HD13 ' A' ' 76' ' ' ILE . 35.9 ttm -90.71 131.56 36.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 41.5 t -113.7 108.11 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.799 HG21 HD22 ' A' ' 121' ' ' LEU . 4.0 t -102.36 149.95 6.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -179.54 146.48 0.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -85.77 47.56 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.277 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.498 HD21 ' HB3' ' A' ' 95' ' ' GLU . 4.0 mm? 40.24 67.49 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -82.18 4.29 23.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -69.53 -6.79 33.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.58 -145.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.357 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -154.01 117.18 4.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.47 62.05 6.41 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 110.97 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.7 m -157.96 96.34 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 110.014 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -126.12 104.98 8.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -176.45 37.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 108.274 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.7 ptm 172.9 176.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.518 ' HE2' HD11 ' A' ' 96' ' ' ILE . 2.2 p90 -160.06 164.86 32.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.498 ' HB3' HD21 ' A' ' 84' ' ' LEU . 22.0 pt-20 -124.75 132.13 53.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.518 HD11 ' HE2' ' A' ' 94' ' ' PHE . 76.7 mt -102.63 96.69 4.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 1.018 HG22 ' HA ' ' A' ' 103' ' ' ARG . 49.0 p -105.87 -175.57 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.414 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -148.26 -47.14 0.03 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.652 ' O ' HG23 ' A' ' 101' ' ' VAL . 0.2 OUTLIER -141.89 44.96 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 0.796 . . . . 0.0 109.988 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 41.4 p 45.63 41.92 7.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.411 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 99' ' ' SER . 58.8 t -142.09 -45.82 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 103' ' ' ARG . 4.4 tp10 -61.16 -65.27 0.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 1.018 ' HA ' HG22 ' A' ' 97' ' ' THR . 11.9 ttt180 49.04 99.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.863 HG23 ' HG3' ' A' ' 36' ' ' MET . 6.2 mt -112.08 109.82 29.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 40.7 t -90.27 97.84 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.506 ' HB ' ' CE1' ' A' ' 94' ' ' PHE . 20.8 t -84.36 137.81 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -108.36 164.93 11.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.577 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 176.47 133.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 108.251 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -100.22 -43.46 6.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.435 ' O ' ' CB ' ' A' ' 111' ' ' ASN . 9.1 m-80 -43.68 -48.14 7.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 110' ' ' ASN . 1.6 t30 77.14 -57.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.43 -47.39 1.8 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 2.4 m-20 -67.59 -58.74 4.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 117' ' ' TRP . 6.0 t80 -45.7 -54.87 7.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -38.75 -38.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.58 -50.38 45.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.836 ' O ' HD12 ' A' ' 121' ' ' LEU . 42.1 m95 -44.97 -44.09 9.57 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 87.7 mmm -63.36 -41.0 98.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -68.33 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.341 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.407 ' O ' ' HG ' ' A' ' 124' ' ' LEU . 0.8 OUTLIER -49.1 -57.55 6.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.317 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.836 HD12 ' O ' ' A' ' 117' ' ' TRP . 8.3 mt -45.61 -52.73 10.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -42.45 -28.63 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.408 ' N ' ' C ' ' A' ' 121' ' ' LEU . 29.8 ttt180 -95.83 -59.52 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.941 HD13 ' HA ' ' A' ' 53' ' ' SER . 8.2 mt -43.07 -70.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.591 HG21 ' CG2' ' A' ' 81' ' ' VAL . 43.0 p -57.11 -49.84 74.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.377 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.1 mttm 62.84 82.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.51 141.46 28.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 50.98 -149.93 6.72 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.147 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -40.2 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 3.2 t 46.57 88.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.041 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.38 168.97 14.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.016 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 0.0 111.035 179.969 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.58 -74.33 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 110.017 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 m -130.67 152.62 49.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.999 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.26 117.48 0.46 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.454 1.097 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.22 -54.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 0.728 . . . . 0.0 109.997 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.05 -53.94 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.961 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' HA2' HD11 ' A' ' 10' ' ' LEU . . . 113.64 66.01 0.46 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.445 1.091 . . . . 0.0 111.037 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.422 ' C ' ' N ' ' A' ' 10' ' ' LEU . 2.1 mt-30 -127.52 -60.69 1.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 110.265 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.636 HD13 ' CE ' ' A' ' 31' ' ' MET . 2.6 tt -41.64 -28.88 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.422 ' N ' ' C ' ' A' ' 8' ' ' GLN . 0.3 OUTLIER -113.42 54.3 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 8' ' ' GLN . 0.5 OUTLIER -145.66 -51.15 0.24 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.961 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -110.83 160.81 27.4 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 164.34 33.57 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.982 ' CD1' HD21 ' A' ' 59' ' ' LEU . 4.6 mt -84.76 151.15 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.652 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 12.1 tt0 -92.22 129.86 38.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 80.65 23.32 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.608 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 60.8 t-105 -79.16 115.34 18.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 108.026 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -127.09 126.64 43.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.35 -153.77 17.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -65.24 -161.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 0.765 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.541 ' O ' HG22 ' A' ' 24' ' ' THR . 1.8 m-20 -82.86 175.56 9.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.608 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 5.0 tt -97.18 -23.35 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -91.92 -2.85 56.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.541 HG22 ' O ' ' A' ' 21' ' ' ASP . 14.8 t -94.24 -22.52 18.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.444 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.403 HD13 HG11 ' A' ' 55' ' ' VAL . 45.7 mt -67.1 -80.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.76 45.78 0.21 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.563 1.164 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.604 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER 44.37 -166.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.924 HG22 ' CE1' ' A' ' 52' ' ' PHE . 65.4 t -116.98 116.9 53.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.535 HG22 ' N ' ' A' ' 30' ' ' PHE . 21.1 mt -78.17 -73.98 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 113' ' ' ASP . 0.3 OUTLIER -126.75 121.79 32.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.636 ' CE ' HD13 ' A' ' 9' ' ' ILE . 5.5 ptm -128.04 133.48 49.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 111.045 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -161.37 168.17 24.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -86.39 106.33 17.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.565 ' HB ' HG13 ' A' ' 106' ' ' VAL . 21.7 m -108.05 171.24 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.572 HG23 ' HG2' ' A' ' 46' ' ' GLU . 0.9 OUTLIER -121.3 109.88 26.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 45' ' ' GLU . 1.3 tmm? -133.46 119.53 19.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.47 147.59 50.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -42.96 -64.2 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.549 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -168.81 -81.09 0.05 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -126.55 86.95 2.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 0.789 . . . . 0.0 109.28 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 58.2 m -106.52 -72.98 0.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 108.275 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -143.66 -67.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -148.91 175.29 11.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -42.03 136.83 2.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 36' ' ' MET . 19.8 tt0 -107.3 99.86 9.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.572 ' HG2' HG23 ' A' ' 35' ' ' VAL . 1.7 mt-10 -78.34 136.61 37.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.9 166.93 31.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.297 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.421 ' O ' ' HA ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -109.22 137.61 46.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.694 ' C ' HD23 ' A' ' 50' ' ' LEU . 1.7 m-30 -122.03 118.93 29.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.881 HD11 HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -109.26 110.07 21.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.665 HD21 HD12 ' A' ' 124' ' ' LEU . 9.9 tp -86.83 114.44 23.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.924 ' CE1' HG22 ' A' ' 28' ' ' VAL . 7.9 m-30 -100.73 9.34 42.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.842 ' HA ' HD13 ' A' ' 124' ' ' LEU . 4.2 t 65.71 42.61 3.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.418 ' N ' HG13 ' A' ' 76' ' ' ILE . 0.3 OUTLIER 175.81 -30.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.482 ' CG2' ' HD3' ' A' ' 73' ' ' LYS . 9.6 p -146.08 149.0 16.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.128 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.774 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.5 tm? -105.15 92.66 4.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.616 HG13 ' CE2' ' A' ' 52' ' ' PHE . 12.0 mm -76.61 128.66 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.762 ' O ' HD12 ' A' ' 59' ' ' LEU . 11.6 mtm -108.47 132.55 53.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.982 HD21 ' CD1' ' A' ' 14' ' ' ILE . 8.2 mp -126.59 158.75 35.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.0 m -142.8 148.44 37.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.09 87.06 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.475 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -79.67 -53.56 1.0 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.984 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 62' ' ' SER . 18.3 Cg_endo -74.97 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.41 175.78 1.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.1 ttp -60.57 161.41 7.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.9 t 76.66 103.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.958 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.51 137.44 7.55 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.504 1.128 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.473 ' CB ' HD23 ' A' ' 59' ' ' LEU . 13.9 m-85 -127.75 169.92 13.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 16.5 ttt -132.18 119.02 20.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.498 ' OH ' ' CG ' ' A' ' 73' ' ' LYS . 72.2 t80 -62.98 141.64 58.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -137.54 66.31 1.46 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.345 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.81 171.38 19.47 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.498 ' CG ' ' OH ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -143.22 164.62 29.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.761 . . . . 0.0 109.325 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.785 ' HB ' ' HE1' ' A' ' 79' ' ' MET . 7.7 mt -135.14 130.04 19.16 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 74' ' ' ILE . 18.4 Cg_endo -74.98 136.09 19.97 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.545 HD11 HD11 ' A' ' 51' ' ' LEU . 15.9 mm -61.09 -21.6 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.57 -81.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.2 -20.34 4.72 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.785 ' HE1' ' HB ' ' A' ' 74' ' ' ILE . 5.2 tpp -46.63 153.94 0.34 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 0.753 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.2 t -142.8 105.04 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.422 HG21 HD22 ' A' ' 121' ' ' LEU . 4.2 t -111.08 140.78 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -178.08 129.93 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 85' ' ' ASP . 0.2 OUTLIER -42.13 118.3 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.636 HD21 ' HG2' ' A' ' 95' ' ' GLU . 13.1 mt -69.44 62.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 83' ' ' ARG . 4.3 t0 -93.44 11.74 27.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.725 ' C ' HD13 ' A' ' 87' ' ' ILE . 1.7 mt-10 -67.74 -8.69 37.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.775 ' N ' HD13 ' A' ' 87' ' ' ILE . 0.9 OUTLIER -95.77 -145.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.567 ' H ' HG22 ' A' ' 87' ' ' ILE . 4.2 pt-20 -170.7 125.61 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 44.88 75.89 0.15 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 t -158.47 -61.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 0.795 . . . . 0.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 92' ' ' CYS . 5.0 t0 174.58 157.82 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.246 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.443 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 58.5 m -71.86 -81.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 108.312 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.81 175.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.41 ' CD1' ' HE1' ' A' ' 114' ' ' PHE . 4.1 p90 -152.35 155.22 37.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.636 ' HG2' HD21 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -112.22 156.4 22.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.51 HG23 ' SD ' ' A' ' 79' ' ' MET . 21.1 mt -127.93 91.34 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.676 HG22 ' HA ' ' A' ' 103' ' ' ARG . 32.2 p -111.22 -176.02 2.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 99' ' ' SER . . . 131.94 -47.06 1.03 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.434 1.084 . . . . 0.0 111.032 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 98' ' ' GLY . 1.1 t -39.31 -63.41 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.751 . . . . 0.0 109.983 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 52.5 m -152.75 -71.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.397 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 102' ' ' GLU . 43.4 t -141.72 -45.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 101' ' ' VAL . 2.1 tt0 -37.46 136.3 0.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.676 ' HA ' HG22 ' A' ' 97' ' ' THR . 19.4 ttm105 -112.89 121.11 43.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.505 ' CD1' HD11 ' A' ' 74' ' ' ILE . 4.8 mt -85.01 106.12 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.406 1.066 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 41.9 t -96.58 98.26 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.565 HG13 ' HB ' ' A' ' 34' ' ' VAL . 8.0 t -83.6 117.66 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.504 ' CD2' HG12 ' A' ' 35' ' ' VAL . 2.2 m-70 -70.1 141.07 52.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.612 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.449 ' CB ' ' O ' ' A' ' 107' ' ' HIS . 0.6 OUTLIER 163.55 101.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.138 . . . . 0.0 108.26 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -50.22 -54.4 21.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.416 ' O ' ' O ' ' A' ' 111' ' ' ASN . 58.0 t30 -163.06 -66.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.416 ' O ' ' O ' ' A' ' 110' ' ' ASN . 4.3 m120 49.08 -177.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -97.84 -45.23 6.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 4.0 m-20 -45.73 -64.38 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.478 ' CE1' ' HG3' ' A' ' 118' ' ' MET . 14.0 t80 -41.49 -52.86 3.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -37.86 -41.68 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.334 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -67.74 -48.19 67.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.754 ' O ' HD12 ' A' ' 121' ' ' LEU . 51.1 m95 -45.82 -48.14 15.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 108.025 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.478 ' HG3' ' CE1' ' A' ' 114' ' ' PHE . 2.5 mtp -67.18 -29.0 68.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 116' ' ' GLU . 2.4 tt0 -70.59 -51.69 26.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.512 ' O ' ' CG ' ' A' ' 123' ' ' ARG . 10.7 pt20 -68.79 -55.53 10.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.754 HD12 ' O ' ' A' ' 117' ' ' TRP . 4.9 mt -48.91 -24.83 1.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.3 OUTLIER -67.0 -26.54 66.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.703 ' HG3' HD23 ' A' ' 124' ' ' LEU . 15.2 ptt180 -105.29 -27.85 11.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.842 HD13 ' HA ' ' A' ' 53' ' ' SER . 10.3 mt -70.32 -65.93 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.095 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 29.0 p -61.08 -57.04 14.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.443 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.8 65.72 8.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.86 -63.97 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -51.23 -178.7 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -44.92 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.517 1.798 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 18.6 t -146.3 -57.11 0.29 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.013 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 52.6 p -100.46 167.3 10.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.524 1.14 . . . . 0.0 111.022 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 m -136.2 -58.72 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 0.753 . . . . 0.0 109.981 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.0 t -53.74 -60.48 3.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.7 -149.8 5.14 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.46 1.1 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -160.11 81.44 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 0.737 . . . . 0.0 110.027 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.35 126.46 54.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.35 -110.22 3.73 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.525 1.141 . . . . 0.0 110.97 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.11 137.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 110.324 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.884 HG22 ' HG ' ' A' ' 10' ' ' LEU . 28.5 mm -71.02 -100.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.884 ' HG ' HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -138.61 -61.53 0.58 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.416 ' N ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -168.74 -73.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -42.89 157.26 0.24 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.259 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 156.44 42.83 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.45 1.763 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.764 ' CD1' HD21 ' A' ' 59' ' ' LEU . 6.9 mt -70.18 130.95 34.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.537 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 1.5 tt0 -72.27 148.2 45.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 73.44 5.09 4.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.663 ' CH2' HD12 ' A' ' 22' ' ' ILE . 63.1 t-105 -72.46 127.23 31.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 107.983 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -131.16 176.09 8.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.11 -126.72 7.83 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.523 1.14 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -107.48 -177.04 3.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 0.754 . . . . 0.0 109.295 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -59.86 160.45 7.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.663 HD12 ' CH2' ' A' ' 17' ' ' TRP . 6.6 tt -82.01 -27.32 9.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.6 mmmt -60.94 -15.18 28.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.4 p -74.48 -30.65 61.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.452 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.591 HD13 HG11 ' A' ' 55' ' ' VAL . 74.1 mt -75.62 -56.03 5.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 155.43 -128.84 2.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.562 1.164 . . . . 0.0 110.975 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.494 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 43.9 p-10 -123.44 -161.79 1.0 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 0.751 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.831 HG22 ' HE1' ' A' ' 52' ' ' PHE . 92.5 t -117.23 104.3 16.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.567 HD11 ' CB ' ' A' ' 53' ' ' SER . 30.8 mt -59.94 -75.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.521 ' N ' HG22 ' A' ' 29' ' ' ILE . 0.3 OUTLIER -124.74 120.55 32.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.962 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.55 ' HG3' HD22 ' A' ' 50' ' ' LEU . 21.6 ttm -121.5 127.45 51.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.89 168.77 25.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -86.57 105.51 16.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.494 ' HB ' HG13 ' A' ' 106' ' ' VAL . 3.9 m -105.02 179.2 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.54 HG22 ' HA ' ' A' ' 46' ' ' GLU . 2.1 t -137.5 117.31 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.503 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 1.6 tmm? -137.94 121.9 17.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.432 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 1.5 tp60 -126.11 145.93 50.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.405 ' CD2' ' C ' ' A' ' 38' ' ' HIS . 0.6 OUTLIER -46.5 -64.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.6 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.75 -129.18 1.11 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.46 1.1 . . . . 0.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.62 94.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 72.3 m -133.79 172.78 12.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 108.307 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.433 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 10.9 mt-10 -39.67 -73.73 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.113 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.433 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 3.8 mm-40 -134.9 -168.39 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 pttp -67.89 157.62 34.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 36' ' ' MET . 4.9 tp10 -114.48 109.17 17.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.54 ' HA ' HG22 ' A' ' 35' ' ' VAL . 0.9 OUTLIER -89.42 132.66 34.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.259 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -152.67 170.38 20.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.62 ' CD2' ' CZ ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -109.87 134.18 52.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.715 ' C ' HD23 ' A' ' 50' ' ' LEU . 1.9 m-30 -118.92 121.76 40.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.715 HD23 ' C ' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -110.06 109.35 19.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.623 HD23 ' NE2' ' A' ' 120' ' ' GLN . 8.7 tp -86.87 112.51 21.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.831 ' HE1' HG22 ' A' ' 28' ' ' VAL . 8.0 m-30 -96.44 -5.34 39.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.918 ' HA ' HD13 ' A' ' 124' ' ' LEU . 0.4 OUTLIER 84.06 -13.13 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.18 -2.92 6.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.958 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.591 HG11 HD13 ' A' ' 25' ' ' LEU . 7.5 p -176.23 150.15 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.857 HD13 ' O ' ' A' ' 56' ' ' LEU . 1.6 tm? -104.81 94.33 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.608 HG13 ' CE2' ' A' ' 52' ' ' PHE . 7.6 mm -77.4 138.08 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.678 ' O ' HD12 ' A' ' 59' ' ' LEU . 27.7 mtm -120.57 133.57 55.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.847 HD23 ' CB ' ' A' ' 68' ' ' PHE . 6.9 mp -122.24 155.89 34.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.3 p -148.73 127.72 12.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.97 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.77 95.99 8.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.47 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -78.93 -54.49 1.04 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.005 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.2 Cg_endo -75.0 -20.27 17.02 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.22 89.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.464 ' HA ' ' CE ' ' A' ' 65' ' ' MET . 2.6 tpt -178.98 167.76 1.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.6 m -39.74 119.15 0.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.004 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.414 ' N ' HD21 ' A' ' 10' ' ' LEU . . . 112.51 170.66 18.19 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.847 ' CB ' HD23 ' A' ' 59' ' ' LEU . 5.9 m-85 -134.23 173.81 11.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 0.79 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 23.6 ttt -129.85 108.76 10.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.46 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 33.2 t80 -57.8 144.31 38.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -154.36 103.39 2.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.269 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.84 156.84 0.02 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -144.34 134.38 24.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.783 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.711 HD11 HD13 ' A' ' 104' ' ' ILE . 2.0 mt -106.64 114.21 62.14 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 133.27 16.31 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.466 1.772 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.429 HG12 ' N ' ' A' ' 55' ' ' VAL . 42.2 mm -47.46 -34.38 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.81 132.46 46.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.65 -3.75 40.59 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.406 ' CE ' ' HB ' ' A' ' 74' ' ' ILE . 19.9 ttm -63.75 140.67 58.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 0.783 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.5 t -120.7 107.93 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.234 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.65 HG21 HD22 ' A' ' 121' ' ' LEU . 3.2 t -130.32 152.65 37.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.5 p30 175.04 175.73 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.462 ' CD ' ' O ' ' A' ' 89' ' ' GLY . 0.1 OUTLIER -78.14 -0.03 26.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.716 HD21 ' HG2' ' A' ' 95' ' ' GLU . 83.7 mt 68.95 8.21 6.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -111.25 -22.12 11.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 75.32 -2.48 2.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.564 HG22 ' H ' ' A' ' 88' ' ' GLU . 7.5 mm -81.86 -132.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.564 ' H ' HG22 ' A' ' 87' ' ' ILE . 10.7 mt-10 -150.51 31.68 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.462 ' O ' ' CD ' ' A' ' 83' ' ' ARG . . . 176.49 -118.14 0.63 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.469 1.105 . . . . 0.0 110.99 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 42.56 59.73 2.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 0.742 . . . . 0.0 109.979 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -40.26 147.58 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 26.5 t -178.7 -71.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.351 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -173.59 176.93 2.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.544 ' CE1' ' HB ' ' A' ' 106' ' ' VAL . 6.2 p90 -146.92 158.38 43.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.716 ' HG2' HD21 ' A' ' 84' ' ' LEU . 19.1 pt-20 -118.51 167.39 11.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.302 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.8 mt -135.32 98.78 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.62 HG22 ' HA ' ' A' ' 103' ' ' ARG . 39.3 p -125.43 -175.51 3.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.402 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 124.05 135.34 4.46 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.8 t 70.49 -68.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 110.03 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.8 p -64.37 -142.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.2 p -144.55 -46.36 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.37 134.78 53.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.62 ' HA ' HG22 ' A' ' 97' ' ' THR . 38.0 ttp180 -95.05 127.44 41.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.711 HD13 HD11 ' A' ' 74' ' ' ILE . 1.5 mt -91.42 106.77 17.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 25.2 t -95.83 97.55 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.544 ' HB ' ' CE1' ' A' ' 94' ' ' PHE . 11.2 t -82.71 120.12 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -71.41 163.05 28.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.576 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.566 ' CB ' ' CD1' ' A' ' 114' ' ' PHE . 13.9 p -153.71 160.76 42.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 108.31 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -121.03 16.16 11.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.5 m120 61.8 90.1 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -157.61 175.8 13.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -33.0 68.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -62.32 -51.38 67.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.566 ' CD1' ' CB ' ' A' ' 108' ' ' CYS . 55.2 t80 -51.37 -55.51 18.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.585 1.178 . . . . 0.0 111.045 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.06 -51.19 64.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.343 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.92 -61.41 1.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.13 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.647 ' O ' HD12 ' A' ' 121' ' ' LEU . 47.5 m95 -42.78 -52.82 4.86 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.455 ' HE3' ' HE ' ' A' ' 83' ' ' ARG . 93.5 mmm -61.56 -42.43 98.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -61.95 1.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.623 ' NE2' HD23 ' A' ' 51' ' ' LEU . 10.7 pt20 -60.15 -55.55 32.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.65 HD22 HG21 ' A' ' 81' ' ' VAL . 6.5 mt -45.26 -30.21 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.16 -40.59 78.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.623 ' CG ' HD23 ' A' ' 124' ' ' LEU . 1.5 ptm180 -83.48 -30.42 27.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.247 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.918 HD13 ' HA ' ' A' ' 53' ' ' SER . 9.0 mt -67.4 -72.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 47.9 p -57.15 -61.42 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.373 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -93.01 -162.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.68 141.55 1.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.979 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -114.27 -159.93 13.12 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 147.77 34.31 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.53 1.805 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 52.4 p -88.21 147.76 24.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.963 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 80.3 p -57.55 140.07 51.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 t -178.53 102.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.009 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 m 61.32 156.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.009 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.79 -96.82 0.41 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.11 89.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.405 ' O ' HD11 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -137.56 137.33 38.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.0 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.11 -130.93 4.5 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.137 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 11' ' ' SER . 38.3 mm-40 -131.49 -56.71 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.493 HD12 ' CD2' ' A' ' 68' ' ' PHE . 3.3 tt -45.59 -27.11 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.406 ' N ' ' C ' ' A' ' 8' ' ' GLN . 0.5 OUTLIER -120.96 42.87 2.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 8' ' ' GLN . 2.5 m -163.63 -57.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.996 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -96.83 160.3 29.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 160.0 40.55 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.569 HD13 HD21 ' A' ' 59' ' ' LEU . 16.1 mt -83.86 139.84 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -77.32 138.25 39.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 63.29 42.49 6.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.582 ' CZ2' HD12 ' A' ' 22' ' ' ILE . 73.8 t-105 -101.76 105.69 16.6 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -111.78 155.78 23.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.086 . . . . 0.0 110.319 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.52 -84.69 0.25 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.533 1.146 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.35 -64.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.747 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.558 ' CB ' HG23 ' A' ' 24' ' ' THR . 0.7 OUTLIER -154.39 151.82 29.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.582 HD12 ' CZ2' ' A' ' 17' ' ' TRP . 7.7 tt -84.65 -25.6 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.74 -15.0 63.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.558 HG23 ' CB ' ' A' ' 21' ' ' ASP . 41.0 p -69.84 -33.45 72.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.487 HD13 HG11 ' A' ' 55' ' ' VAL . 68.2 mt -73.64 -74.98 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 174.48 -133.88 2.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -117.37 179.09 4.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.802 HG22 ' HE1' ' A' ' 52' ' ' PHE . 80.2 t -101.85 101.54 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.565 HD11 ' HB2' ' A' ' 53' ' ' SER . 42.3 mt -59.67 -78.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.498 ' N ' HG22 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -120.08 119.91 34.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.658 ' HE3' HG11 ' A' ' 28' ' ' VAL . 32.7 ttm -121.6 114.97 21.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.12 166.77 25.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -88.66 106.92 18.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.468 ' HB ' HG13 ' A' ' 106' ' ' VAL . 16.3 m -105.32 176.37 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.772 HG22 ' HG3' ' A' ' 46' ' ' GLU . 2.5 t -124.78 117.48 50.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.852 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.1 tmm? -139.4 120.83 15.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -122.94 171.76 8.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.39 179.02 4.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.583 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -53.8 91.85 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 111.04 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 62.76 145.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.324 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.6 t -173.3 -59.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 108.305 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -174.32 -82.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 110.245 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -139.98 -178.87 5.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -39.44 136.73 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 36' ' ' MET . 24.6 tt0 -112.68 92.59 4.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.772 ' HG3' HG22 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -70.39 147.55 49.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.86 177.91 8.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -119.8 131.24 55.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.962 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.676 ' HE2' HD12 ' A' ' 96' ' ' ILE . 1.9 m-30 -119.26 114.15 21.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.574 HD23 ' C ' ' A' ' 49' ' ' PHE . 0.8 OUTLIER -102.45 112.48 25.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.622 HD22 ' CZ3' ' A' ' 117' ' ' TRP . 6.6 tp -84.97 113.75 21.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.802 ' HE1' HG22 ' A' ' 28' ' ' VAL . 6.4 m-30 -101.74 6.29 41.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.845 ' HA ' HD13 ' A' ' 124' ' ' LEU . 8.4 t 65.61 50.56 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.024 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.6 OUTLIER 161.37 -22.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.982 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.541 HG21 ' HD3' ' A' ' 73' ' ' LYS . 2.8 p -151.71 140.05 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.763 HD12 HD12 ' A' ' 74' ' ' ILE . 2.3 tm? -101.84 95.01 6.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.607 HG13 ' CE2' ' A' ' 52' ' ' PHE . 14.1 mm -75.9 126.27 36.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.709 ' O ' HD12 ' A' ' 59' ' ' LEU . 39.5 mtm -109.48 137.04 47.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.709 HD12 ' O ' ' A' ' 58' ' ' MET . 4.3 mp -127.39 161.87 27.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.6 p -135.41 132.88 38.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.28 157.51 33.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.492 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.1 OUTLIER 176.21 -55.82 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.968 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.492 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.3 Cg_endo -75.02 118.84 5.41 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.454 1.766 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -78.98 84.68 4.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.7 ttp -176.83 -57.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.9 t -87.88 161.92 17.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.78 -110.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.493 ' CD2' HD12 ' A' ' 9' ' ' ILE . 14.1 m-85 -124.25 157.85 33.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 111.046 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.413 ' O ' ' HA ' ' A' ' 59' ' ' LEU . 5.5 ttt -114.93 130.66 56.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -90.28 128.79 36.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.174 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -104.24 -61.16 1.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -155.6 170.1 33.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.143 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.541 ' HD3' HG21 ' A' ' 55' ' ' VAL . 1.1 ptpt -137.33 133.99 35.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.754 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.763 HD12 HD12 ' A' ' 56' ' ' LEU . 4.0 mt -104.61 120.96 48.66 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 124.9 9.0 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.455 1.766 . . . . 0.0 111.038 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.69 HD13 ' SD ' ' A' ' 79' ' ' MET . 21.3 mm -42.75 -35.94 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.86 121.73 9.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.1 -17.48 17.36 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.69 ' SD ' HD13 ' A' ' 76' ' ' ILE . 33.1 ttm -56.79 120.56 8.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.773 . . . . 0.0 110.949 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.6 t -105.1 106.89 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 1.066 HG21 HD22 ' A' ' 121' ' ' LEU . 7.2 t -111.67 150.03 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 30.0 p30 171.62 170.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 84' ' ' LEU . 11.5 ptt-85 -89.39 37.08 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 83' ' ' ARG . 1.0 OUTLIER 38.92 81.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -96.24 10.27 38.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.742 ' C ' HD13 ' A' ' 87' ' ' ILE . 3.3 mt-10 -93.25 -3.05 54.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.351 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.742 HD13 ' C ' ' A' ' 86' ' ' GLU . 1.3 mm -104.17 -145.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.544 ' H ' HG22 ' A' ' 87' ' ' ILE . 2.4 pt-20 -139.28 48.19 1.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.26 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.09 -101.65 0.2 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.405 ' HA ' ' SD ' ' A' ' 93' ' ' MET . 0.5 OUTLIER 38.97 80.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 110.009 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.77 153.6 20.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 8.6 m 43.77 63.58 1.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 108.334 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.405 ' SD ' ' HA ' ' A' ' 90' ' ' SER . 21.9 ptm -179.79 149.85 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -150.73 159.37 44.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.499 ' HG3' HG23 ' A' ' 97' ' ' THR . 6.3 pt-20 -104.19 155.31 18.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.288 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.676 HD12 ' HE2' ' A' ' 49' ' ' PHE . 45.1 mt -128.29 93.62 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.765 HG22 ' HA ' ' A' ' 103' ' ' ARG . 9.8 p -109.25 -174.92 2.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.411 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 125.14 84.97 0.59 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.66 -66.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 0.791 . . . . 0.0 109.96 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.494 ' C ' HG23 ' A' ' 101' ' ' VAL . 2.7 m -159.83 -63.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.392 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.57 ' O ' HG12 ' A' ' 101' ' ' VAL . 97.1 t -156.64 57.7 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.429 ' O ' ' HB ' ' A' ' 97' ' ' THR . 8.1 tt0 -129.77 142.34 50.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.765 ' HA ' HG22 ' A' ' 97' ' ' THR . 54.3 ttp180 -135.06 117.85 16.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.852 HG23 ' HG3' ' A' ' 36' ' ' MET . 10.6 mt -95.45 104.54 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 36.9 t -82.89 97.86 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.486 HG23 HG22 ' A' ' 104' ' ' ILE . 40.1 t -88.06 114.34 26.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -81.5 127.47 32.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.566 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 92.7 m -115.98 164.53 14.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.447 1.092 . . . . 0.0 108.352 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -138.08 -49.04 0.55 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.53 161.43 27.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -102.95 -55.55 2.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -54.01 -56.63 16.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.11 -57.17 13.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -47.24 -52.87 14.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -47.04 -56.73 5.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -45.71 -59.82 2.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.622 ' CZ3' HD22 ' A' ' 51' ' ' LEU . 46.9 m95 -43.12 -54.76 4.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.027 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 94.6 mmm -57.18 -42.33 80.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -56.95 -69.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.572 ' OE1' HD23 ' A' ' 51' ' ' LEU . 1.8 pt20 -51.35 -56.55 12.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 1.066 HD22 HG21 ' A' ' 81' ' ' VAL . 5.9 mt -42.87 -53.7 4.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -45.68 -42.2 11.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.505 ' HG2' HD23 ' A' ' 124' ' ' LEU . 6.6 ttm180 -73.45 -59.06 2.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.845 HD13 ' HA ' ' A' ' 53' ' ' SER . 8.2 mt -46.86 -77.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.434 HG21 ' HB ' ' A' ' 81' ' ' VAL . 82.1 p -42.45 -69.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.387 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -66.49 -154.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 87.4 p -51.98 124.25 12.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.034 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -104.45 -139.86 10.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 138.12 22.52 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.799 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 14.8 m 69.46 125.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.026 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 88.2 p -113.36 94.41 4.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 0.0 109.98 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.515 1.134 . . . . 0.0 111.02 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 t -156.29 136.66 13.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 110.029 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.85 161.8 1.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.056 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.0 149.26 25.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 0.0 111.033 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.0 p -84.06 75.79 10.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 109.958 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 176.54 169.44 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.004 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.1 -86.37 0.15 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -42.09 163.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 0.766 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.841 HG22 ' HG ' ' A' ' 10' ' ' LEU . 36.3 mm -46.13 -93.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.841 ' HG ' HG22 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -132.24 -57.46 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 m -139.56 -68.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -61.62 147.74 88.01 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.7 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.501 1.79 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.79 ' CD1' HD21 ' A' ' 59' ' ' LEU . 3.2 mt -107.11 148.51 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.716 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 7.9 tt0 -98.94 140.11 33.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 87.42 -16.99 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.477 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 27.6 t-105 -53.62 109.05 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 108.006 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -132.98 161.74 33.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.71 -135.02 21.32 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.82 151.3 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -87.47 166.92 14.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.477 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 7.0 tt -86.95 -35.77 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -51.15 -24.24 3.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.4 p -62.48 -35.21 78.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.381 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.71 -75.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.521 ' O ' ' CB ' ' A' ' 27' ' ' ASN . . . 64.38 154.08 0.11 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.509 1.131 . . . . 0.0 111.052 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.521 ' CB ' ' O ' ' A' ' 26' ' ' GLY . 1.2 t30 83.91 129.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 0.749 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.788 HG22 ' CE1' ' A' ' 52' ' ' PHE . 53.5 t -130.14 93.08 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.748 HD11 ' HB2' ' A' ' 53' ' ' SER . 53.7 mt -42.54 -81.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.518 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.3 OUTLIER -122.65 129.45 51.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.79 ' HE3' HD22 ' A' ' 50' ' ' LEU . 32.5 ttm -132.13 115.68 16.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.5 t -149.01 171.54 16.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -88.5 105.47 17.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.344 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.405 ' HB ' HG13 ' A' ' 106' ' ' VAL . 25.9 m -105.79 166.1 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.479 HG23 ' HG2' ' A' ' 46' ' ' GLU . 1.4 t -114.43 110.08 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.787 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.2 tmm? -134.1 121.2 21.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 111.024 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -127.75 -178.33 4.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -88.43 -49.79 6.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.618 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 179.51 -116.04 0.5 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.13 . . . . 0.0 110.96 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.98 93.5 3.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.755 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.42 176.51 8.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 108.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -38.38 -85.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 44' ' ' LYS . 14.0 mt-10 -138.22 176.03 9.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.27 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.411 ' HD2' HG21 ' A' ' 35' ' ' VAL . 13.7 pttt -39.2 138.99 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 36' ' ' MET . 5.3 tp10 -101.92 96.12 6.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.479 ' HG2' HG23 ' A' ' 35' ' ' VAL . 1.6 mt-10 -79.11 134.28 36.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -148.94 170.52 18.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.486 ' CE2' ' CZ ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -114.21 119.84 38.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.766 ' C ' HD23 ' A' ' 50' ' ' LEU . 2.3 m-30 -106.74 122.51 46.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.822 HD11 HD22 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -110.17 109.96 20.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.57 HD22 ' CZ3' ' A' ' 117' ' ' TRP . 5.7 tp -86.13 108.11 18.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.788 ' CE1' HG22 ' A' ' 28' ' ' VAL . 8.6 m-30 -92.37 4.55 53.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.748 ' HB2' HD11 ' A' ' 29' ' ' ILE . 8.0 t 72.61 44.9 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.995 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 167.89 -26.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.985 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.423 HG21 ' HD3' ' A' ' 73' ' ' LYS . 9.2 p -143.81 145.87 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.683 HD13 ' O ' ' A' ' 56' ' ' LEU . 3.1 tm? -104.86 90.34 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.623 HG13 ' CE2' ' A' ' 52' ' ' PHE . 23.3 mm -76.7 126.48 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.735 ' O ' HD12 ' A' ' 59' ' ' LEU . 15.1 mtm -108.74 131.7 54.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.822 HD22 HD11 ' A' ' 50' ' ' LEU . 6.6 mp -124.98 158.41 33.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 p -149.2 129.31 13.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -98.91 97.6 8.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.471 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.5 OUTLIER -73.02 -54.58 4.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.969 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.2 Cg_endo -74.95 127.47 10.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.1 83.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.251 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 30.4 ttp -169.68 -73.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 54.6 p -167.95 -176.36 3.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.98 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.48 156.55 13.48 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.566 ' CB ' HD23 ' A' ' 59' ' ' LEU . 34.0 m-85 -130.1 154.57 47.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 0.0 111.027 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -123.16 121.1 35.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.956 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -71.01 142.7 50.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -153.3 98.61 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.347 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.03 162.07 0.49 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.423 ' HD3' HG21 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -149.11 133.37 17.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.535 0.785 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.596 HD11 HD12 ' A' ' 104' ' ' ILE . 0.9 OUTLIER -108.59 114.01 59.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.471 ' O ' ' N ' ' A' ' 79' ' ' MET . 18.4 Cg_endo -75.01 135.16 18.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.529 1.805 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.452 HD13 ' SD ' ' A' ' 79' ' ' MET . 15.8 mm -50.62 -44.31 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.19 -52.52 64.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -82.26 4.41 77.01 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.461 1.1 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.507 ' HE1' ' HB ' ' A' ' 74' ' ' ILE . 17.5 ttm -85.16 160.3 19.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 32.3 t -142.71 107.04 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.596 HG21 HD22 ' A' ' 121' ' ' LEU . 6.0 t -117.88 130.57 72.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 -164.67 46.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.17 . . . . 0.0 109.301 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 40.13 54.02 2.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.928 HD13 ' OE1' ' A' ' 95' ' ' GLU . 0.2 OUTLIER 77.6 -60.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.459 ' HB2' ' CD1' ' A' ' 87' ' ' ILE . 4.9 p-10 -165.55 106.47 0.75 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.5 ' O ' ' O ' ' A' ' 87' ' ' ILE . 14.4 mt-10 -37.74 -73.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.611 ' CD1' ' N ' ' A' ' 87' ' ' ILE . 0.6 OUTLIER 56.84 150.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -72.98 58.06 0.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.142 . . . . 0.0 110.256 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 128.33 97.18 0.89 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.69 132.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 0.0 110.029 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -157.17 113.0 2.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.2 t -179.75 117.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 108.328 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.7 mtp 50.66 -173.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -153.64 159.45 42.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.928 ' OE1' HD13 ' A' ' 84' ' ' LEU . 7.4 pt-20 -122.69 157.0 33.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.403 HD12 ' HE2' ' A' ' 49' ' ' PHE . 76.5 mt -123.48 98.11 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.813 HG22 ' HA ' ' A' ' 103' ' ' ARG . 47.8 p -111.87 -175.76 2.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 109.62 91.81 2.16 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.55 1.156 . . . . 0.0 111.023 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 25.2 t -176.56 -59.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 110.023 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.68 -51.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.42 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.625 HG22 ' O ' ' A' ' 101' ' ' VAL . 2.7 p -176.09 55.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -136.47 142.4 43.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.813 ' HA ' HG22 ' A' ' 97' ' ' THR . 19.8 ttp-105 -129.29 119.38 23.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.787 HG23 ' HG3' ' A' ' 36' ' ' MET . 3.2 mt -92.52 110.98 23.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.1 t -93.82 98.15 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.405 HG13 ' HB ' ' A' ' 34' ' ' VAL . 17.7 t -82.39 123.69 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -86.36 165.16 16.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.588 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -167.58 174.29 7.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 108.294 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -121.55 15.73 11.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 62.04 117.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 178.91 -179.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -31.58 39.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.256 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.416 ' HA ' ' CZ ' ' A' ' 30' ' ' PHE . 1.2 m-20 -62.11 -59.6 4.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -48.79 -64.5 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -41.2 -41.8 1.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.425 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -60.9 -59.0 6.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.291 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.779 ' O ' HD12 ' A' ' 121' ' ' LEU . 46.8 m95 -49.8 -44.49 49.1 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -38.24 90.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -63.09 -69.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.48 ' NE2' HD23 ' A' ' 51' ' ' LEU . 6.7 pt20 -45.38 -57.12 4.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.779 HD12 ' O ' ' A' ' 117' ' ' TRP . 10.7 mt -47.14 -48.43 23.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -55.64 -29.13 58.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 120' ' ' GLN . 21.6 ttt180 -86.4 -59.16 2.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.608 HD13 ' HA ' ' A' ' 53' ' ' SER . 13.6 mt -45.17 -71.46 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.473 HG21 ' HB ' ' A' ' 81' ' ' VAL . 49.2 p -52.94 -55.6 22.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.415 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -103.21 101.7 11.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.365 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 26.4 t -91.72 84.44 5.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.024 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 52.98 -157.98 4.14 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.143 . . . . 0.0 111.032 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.5 11.15 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.48 1.779 . . . . 0.0 111.025 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 95.0 p -103.01 110.36 22.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.984 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 87.4 p -170.01 166.75 9.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.548 1.155 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.0 m -144.41 108.07 4.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 0.738 . . . . 0.0 110.022 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -91.46 103.27 15.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.968 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.65 100.73 1.34 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.72 163.88 4.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.783 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 65.74 165.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.967 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.81 -98.2 0.2 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.4 mp0 -78.38 144.16 36.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 0.796 . . . . 0.0 110.314 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.635 HD11 ' HE2' ' A' ' 31' ' ' MET . 2.4 tt -43.1 -35.36 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.745 HD12 ' N ' ' A' ' 11' ' ' SER . 1.3 pp -146.54 -56.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.745 ' N ' HD12 ' A' ' 10' ' ' LEU . 1.8 m -148.89 -59.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -94.85 162.28 25.77 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -173.45 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.472 1.775 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.83 ' CD1' HD21 ' A' ' 59' ' ' LEU . 3.7 mt -83.31 154.7 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.552 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 5.1 tt0 -105.05 126.82 52.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 74.59 20.36 2.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.568 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 39.4 t-105 -44.27 -76.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 73.27 103.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 164.29 -147.44 12.78 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.133 . . . . 0.0 111.062 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.4 -57.41 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.862 ' O ' HG22 ' A' ' 24' ' ' THR . 0.9 OUTLIER -159.68 142.1 13.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.568 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 10.5 tt -82.45 -27.69 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.72 -2.95 52.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.862 HG22 ' O ' ' A' ' 21' ' ' ASP . 1.9 t -92.21 -26.65 18.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.4 mt -68.27 -79.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -175.61 139.9 4.92 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.562 1.164 . . . . 0.0 111.043 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -44.94 156.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 109.312 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.792 HG22 ' CE1' ' A' ' 52' ' ' PHE . 92.3 t -83.72 100.93 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.583 HD11 ' HB3' ' A' ' 53' ' ' SER . 34.7 mt -55.97 -75.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.59 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.3 OUTLIER -122.93 121.51 36.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.974 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.635 ' HE2' HD11 ' A' ' 9' ' ' ILE . 32.5 ttm -124.15 121.31 34.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.24 163.08 33.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -80.69 109.83 15.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.4 m -105.23 175.47 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.535 HG22 ' HG3' ' A' ' 46' ' ' GLU . 1.8 t -124.6 107.91 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.845 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.3 tmm? -132.07 121.87 24.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 111.044 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.48 ' CB ' ' HB3' ' A' ' 45' ' ' GLU . 3.4 tm0? -131.96 173.78 10.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -65.0 -50.22 67.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.556 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -147.14 -81.26 0.04 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.469 1.105 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -141.74 -48.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.588 0.817 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 46.27 -166.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 108.291 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.497 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 1.8 mt-10 -49.18 -53.71 19.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.497 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 3.6 mm-40 -142.7 -169.65 3.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -77.33 168.82 19.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 36' ' ' MET . 5.4 tp10 -120.33 102.16 8.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.535 ' HG3' HG22 ' A' ' 35' ' ' VAL . 19.4 mt-10 -79.84 145.61 32.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.442 ' NH2' ' OE1' ' A' ' 71' ' ' GLN . 0.2 OUTLIER -162.71 177.76 9.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -117.16 130.46 56.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.672 ' C ' HD23 ' A' ' 50' ' ' LEU . 1.8 m-30 -119.42 118.76 31.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.695 HD11 HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -109.13 111.85 23.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.621 HD23 ' OE1' ' A' ' 120' ' ' GLN . 4.9 tp -88.01 118.03 27.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.792 ' CE1' HG22 ' A' ' 28' ' ' VAL . 7.4 m-30 -101.72 4.32 40.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.851 ' HA ' HD13 ' A' ' 124' ' ' LEU . 1.5 p 73.17 44.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.3 OUTLIER 166.41 -26.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.97 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.443 HG21 ' HE3' ' A' ' 73' ' ' LYS . 3.1 p -143.87 143.72 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.793 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.2 tm? -104.88 94.36 5.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.577 1.173 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.599 HG13 ' CE2' ' A' ' 52' ' ' PHE . 9.9 mm -76.31 131.28 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.362 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.578 ' O ' HD12 ' A' ' 59' ' ' LEU . 41.1 mtm -118.82 130.95 56.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.83 HD21 ' CD1' ' A' ' 14' ' ' ILE . 1.7 mp -119.9 157.71 28.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.9 t -119.02 148.96 42.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.49 131.12 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.04 172.12 7.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.993 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 64.01 6.01 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.428 1.752 . . . . 0.0 111.031 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.82 172.01 18.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 110.302 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.521 ' O ' ' CB ' ' A' ' 66' ' ' SER . 4.0 ttp -74.48 111.01 9.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 65' ' ' MET . 2.6 t 157.82 132.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.005 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.96 -122.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.695 ' HD2' HD23 ' A' ' 59' ' ' LEU . 14.5 m-30 -107.67 148.27 29.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 15.6 ttt -121.77 121.38 37.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 111.003 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' GLN . 24.1 t80 -73.2 119.45 17.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.442 ' OE1' ' NH2' ' A' ' 47' ' ' ARG . 7.6 mm-40 -94.22 -62.16 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.42 ' O ' ' CE ' ' A' ' 58' ' ' MET . . . -155.13 167.71 32.88 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.443 ' HE3' HG21 ' A' ' 55' ' ' VAL . 1.3 pttt -132.13 132.4 43.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.563 HG22 ' HE3' ' A' ' 79' ' ' MET . 8.8 mt -106.12 116.22 59.85 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 125.32 9.22 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.553 1.817 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.804 HD13 ' SD ' ' A' ' 79' ' ' MET . 10.9 mm -51.32 -24.8 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.263 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.94 -64.63 0.87 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.453 ' O ' ' CA ' ' A' ' 98' ' ' GLY . . . -84.15 12.09 55.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.804 ' SD ' HD13 ' A' ' 76' ' ' ILE . 42.6 ttm -86.04 147.71 26.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 0.743 . . . . 0.0 110.959 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.5 t -137.88 107.84 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.449 HG22 HG12 ' A' ' 96' ' ' ILE . 5.4 t -117.88 151.77 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 22.6 p30 176.54 162.86 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.272 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' LEU . 1.1 ttt180 -73.62 57.8 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 84' ' ' LEU . 4.5 mm? 40.25 80.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -82.86 2.8 32.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.947 ' C ' HD13 ' A' ' 87' ' ' ILE . 1.7 mt-10 -81.58 -6.75 59.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.947 HD13 ' C ' ' A' ' 86' ' ' GLU . 0.9 OUTLIER -109.11 -146.93 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.533 ' H ' HG22 ' A' ' 87' ' ' ILE . 43.8 mt-10 -132.03 68.22 1.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.81 115.34 0.12 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 t -168.11 120.55 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.767 . . . . 0.0 110.03 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.16 109.67 15.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -175.16 -45.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 108.294 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.497 ' HA ' ' CE2' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -138.94 162.35 35.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.422 ' HE1' HD11 ' A' ' 96' ' ' ILE . 32.7 p90 -130.58 176.61 8.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.476 ' OE1' ' CD ' ' A' ' 103' ' ' ARG . 8.3 pt-20 -128.84 150.09 50.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.449 HG12 HG22 ' A' ' 81' ' ' VAL . 37.0 mt -124.26 91.91 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.867 HG22 ' HA ' ' A' ' 103' ' ' ARG . 46.6 p -103.89 -175.68 2.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.453 ' CA ' ' O ' ' A' ' 78' ' ' GLY . . . 149.17 45.31 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.12 -167.99 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 110.06 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.583 HG22 HG23 ' A' ' 101' ' ' VAL . 6.3 m -58.35 -56.33 23.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.425 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.583 HG23 HG22 ' A' ' 100' ' ' THR . 98.1 t -155.79 65.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -126.27 145.95 50.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.867 ' HA ' HG22 ' A' ' 97' ' ' THR . 20.7 ttm105 -145.81 134.28 21.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.845 HG23 ' HG3' ' A' ' 36' ' ' MET . 5.4 mt -114.66 107.46 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 42.2 t -89.92 97.75 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.3 t -87.34 121.88 38.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -76.45 155.13 34.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.63 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.442 ' CB ' ' HB2' ' A' ' 114' ' ' PHE . 28.4 p -95.83 124.83 40.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 108.237 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -54.05 -53.03 58.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -140.87 -57.16 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.2 t30 177.39 -48.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 113' ' ' ASP . 0.1 OUTLIER -60.93 -61.28 2.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 112' ' ' GLN . 0.8 OUTLIER -40.26 -63.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 115' ' ' GLN . 0.9 OUTLIER -51.29 -54.38 26.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 111.006 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.5 ' N ' ' CD1' ' A' ' 114' ' ' PHE . 0.7 OUTLIER -37.24 -72.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -45.64 -58.97 3.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.61 ' HZ3' HD13 ' A' ' 51' ' ' LEU . 26.0 m95 -43.21 -68.22 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 108.03 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.409 ' HG3' ' N ' ' A' ' 119' ' ' GLU . 0.7 OUTLIER -54.75 -19.37 6.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 116' ' ' GLU . 0.8 OUTLIER -75.62 -70.66 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.272 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.621 ' OE1' HD23 ' A' ' 51' ' ' LEU . 8.0 pt20 -47.01 -54.4 10.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 117' ' ' TRP . 5.5 mt -44.08 -52.02 7.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -48.56 -34.99 12.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 120' ' ' GLN . 28.4 ttt180 -83.06 -58.39 2.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.851 HD13 ' HA ' ' A' ' 53' ' ' SER . 9.5 mt -46.52 -56.91 5.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 121' ' ' LEU . 26.4 p -68.29 -63.94 0.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.373 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.454 ' N ' ' OG1' ' A' ' 125' ' ' THR . 4.2 tttt 76.9 101.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.9 m -103.92 -64.62 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.955 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -127.77 156.21 20.51 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.538 1.149 . . . . 0.0 110.953 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 131' ' ' SER . 18.2 Cg_endo -75.03 91.37 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.45 1.763 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.405 ' O ' ' CB ' ' A' ' 131' ' ' SER . 0.5 OUTLIER 68.17 -69.49 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.007 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 129' ' ' PRO . 0.1 OUTLIER 78.3 161.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.132 . . . . 0.0 111.001 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.4 m 62.24 138.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.788 . . . . 0.0 109.998 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.05 -59.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.14 163.06 21.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.9 p -142.01 82.02 1.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 110.037 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.5 p -94.11 171.91 8.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.059 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.02 -145.23 0.79 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -102.32 -62.97 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 110.293 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.042 HD11 ' CE ' ' A' ' 31' ' ' MET . 19.2 mm 65.2 -76.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' GLN . 0.2 OUTLIER -96.74 103.89 15.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.02 -39.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -146.4 160.05 43.21 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 151.17 39.29 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.451 1.763 . . . . 0.0 111.035 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.862 HD13 HD21 ' A' ' 59' ' ' LEU . 6.0 mt -79.0 126.93 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.708 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 4.0 tt0 -60.86 139.33 58.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.256 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.708 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 85.57 -38.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.537 ' CZ2' HG13 ' A' ' 22' ' ' ILE . 33.8 t-105 -40.19 114.32 0.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 107.993 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -64.36 -175.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.276 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 20' ' ' ASP . . . -51.87 -43.23 54.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.115 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 19' ' ' GLY . 7.0 m-20 -38.79 136.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.544 ' HB3' HG23 ' A' ' 24' ' ' THR . 2.0 m-20 -84.56 151.91 24.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.537 HG13 ' CZ2' ' A' ' 17' ' ' TRP . 12.4 tt -93.91 -19.58 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -74.83 -2.94 28.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.544 HG23 ' HB3' ' A' ' 21' ' ' ASP . 56.2 p -85.39 -27.61 25.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.348 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.484 HD13 HG11 ' A' ' 55' ' ' VAL . 74.9 mt -75.31 -66.0 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.153 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 163.71 -141.75 7.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.105 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.48 173.36 6.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 0.752 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.825 HG22 ' HE1' ' A' ' 52' ' ' PHE . 69.6 t -95.7 104.2 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.726 HD11 ' HB3' ' A' ' 53' ' ' SER . 67.0 mt -57.83 -77.51 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.584 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -129.56 123.66 31.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 1.042 ' CE ' HD11 ' A' ' 9' ' ' ILE . 16.9 ptm -126.84 133.45 50.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.4 t -160.81 166.85 27.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 109.945 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -86.05 104.83 16.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.253 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.7 m -105.25 179.34 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.612 HG21 ' HD3' ' A' ' 44' ' ' LYS . 2.0 t -130.05 117.5 40.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.465 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.7 tmm? -139.64 122.28 16.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.448 ' OE1' ' N ' ' A' ' 38' ' ' HIS . 23.9 tm0? -122.81 -73.65 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.448 ' N ' ' OE1' ' A' ' 37' ' ' GLN . 51.5 t60 65.19 151.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.617 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 64.66 107.02 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.519 1.137 . . . . 0.0 111.043 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 41' ' ' CYS . . . 45.25 85.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 0.761 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 42' ' ' GLU . 30.2 p -54.86 -171.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 108.333 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER 163.8 -44.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' CG ' ' C ' ' A' ' 42' ' ' GLU . 7.1 mt-10 -154.76 176.86 11.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 110.232 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.612 ' HD3' HG21 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -90.11 102.21 14.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.235 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 36' ' ' MET . 0.6 OUTLIER -75.48 94.19 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.288 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.563 ' HG3' HG22 ' A' ' 35' ' ' VAL . 11.4 mt-10 -74.69 147.54 41.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.43 174.23 13.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -120.04 110.67 16.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 111.062 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.596 ' C ' HD23 ' A' ' 50' ' ' LEU . 3.2 m-30 -99.17 125.2 44.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.909 HD11 HD22 ' A' ' 59' ' ' LEU . 1.3 mt -115.36 110.57 19.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.558 HD21 HD12 ' A' ' 124' ' ' LEU . 6.1 tp -85.86 115.69 23.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.825 ' HE1' HG22 ' A' ' 28' ' ' VAL . 7.3 m-30 -99.63 4.2 45.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.726 ' HB3' HD11 ' A' ' 29' ' ' ILE . 1.1 p 74.08 40.76 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.959 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.08 -30.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.954 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.484 HG11 HD13 ' A' ' 25' ' ' LEU . 8.8 p -142.43 155.82 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.814 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.0 tm? -111.25 93.69 4.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.611 HG13 ' CE2' ' A' ' 52' ' ' PHE . 11.8 mm -77.12 130.29 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.647 ' O ' HD12 ' A' ' 59' ' ' LEU . 31.9 mtm -115.16 130.13 56.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.909 HD22 HD11 ' A' ' 50' ' ' LEU . 3.9 mp -120.43 159.92 24.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 57.4 m -137.99 148.87 45.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.996 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -125.11 66.2 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.481 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.3 OUTLIER -79.16 -55.23 0.94 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.992 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.4 Cg_endo -75.03 131.26 14.05 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.499 1.789 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.51 ' O ' ' C ' ' A' ' 65' ' ' MET . 17.3 ttt180 -55.9 144.91 26.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.51 ' C ' ' O ' ' A' ' 64' ' ' ARG . 2.8 ptm 28.47 62.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.0 t -138.76 52.47 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.98 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 39.53 -144.88 0.32 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.125 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.71 ' CD2' HD23 ' A' ' 59' ' ' LEU . 19.6 m-30 -115.99 154.84 29.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 16.1 ttt -118.4 116.63 27.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.475 ' CD1' ' CZ3' ' A' ' 17' ' ' TRP . 60.5 t80 -71.83 111.18 6.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -83.07 -74.17 0.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -143.99 177.85 22.41 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.523 1.14 . . . . 0.0 111.0 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.475 ' HD3' ' CG2' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -137.77 138.87 39.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.597 HG22 ' HE2' ' A' ' 79' ' ' MET . 8.4 mt -119.59 122.89 28.94 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 127.72 10.91 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.47 1.774 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.833 HD13 ' SD ' ' A' ' 79' ' ' MET . 23.4 mm -55.12 -26.38 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.42 -72.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -68.02 -17.23 69.52 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.11 . . . . 0.0 111.06 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.833 ' SD ' HD13 ' A' ' 76' ' ' ILE . 28.5 ttm -55.86 154.79 6.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 0.753 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.6 t -142.58 107.09 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.898 HG21 HD22 ' A' ' 121' ' ' LEU . 5.3 t -111.57 126.71 68.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 81' ' ' VAL . 68.8 m-20 -149.34 174.71 12.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.441 ' HB3' ' CB ' ' A' ' 91' ' ' ASP . 25.8 mtt85 -89.47 29.1 1.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.773 HD11 ' CG ' ' A' ' 95' ' ' GLU . 1.4 mp 40.42 32.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.495 ' OD1' ' CD1' ' A' ' 87' ' ' ILE . 2.3 m-20 -166.37 109.1 0.74 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -70.0 -16.0 63.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.267 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.569 HG22 ' H ' ' A' ' 88' ' ' GLU . 0.8 OUTLIER -62.88 -138.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.569 ' H ' HG22 ' A' ' 87' ' ' ILE . 12.4 pt-20 -151.92 142.18 22.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 44.46 25.43 0.81 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.417 ' O ' ' CG ' ' A' ' 85' ' ' ASP . 0.5 OUTLIER -130.29 56.0 1.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 110.026 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.441 ' CB ' ' HB3' ' A' ' 83' ' ' ARG . 9.7 p-10 -135.42 -169.09 2.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -164.82 -70.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 108.28 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.8 mtp -105.14 -170.85 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -150.43 164.48 35.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.773 ' CG ' HD11 ' A' ' 84' ' ' LEU . 9.1 pt-20 -126.34 156.46 40.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.418 HG23 ' HG3' ' A' ' 79' ' ' MET . 71.7 mt -121.35 98.55 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.998 HG22 ' HA ' ' A' ' 103' ' ' ARG . 43.3 p -109.32 -175.89 2.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 110.411 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.37 -48.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.07 -176.3 3.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 0.771 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.5 t -86.05 48.22 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.452 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.2 p -174.08 -42.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -49.34 153.33 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.241 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.998 ' HA ' HG22 ' A' ' 97' ' ' THR . 39.2 ttt180 -178.52 104.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.546 ' O ' HG22 ' A' ' 104' ' ' ILE . 0.9 OUTLIER -103.86 104.26 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.4 t -86.97 98.75 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.0 t -85.27 126.55 40.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -82.18 130.25 35.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.557 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 31.9 p -44.09 151.06 0.25 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 108.291 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.92 -59.49 1.97 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -157.66 -59.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.8 t30 178.24 -62.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -61.47 2.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -46.56 -63.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.484 ' CE1' ' HG3' ' A' ' 118' ' ' MET . 25.0 t80 -43.37 -57.37 3.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -42.73 -60.08 1.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.318 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.0 OUTLIER -45.33 -59.24 2.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.623 ' HE3' HD11 ' A' ' 121' ' ' LEU . 62.4 m95 -46.5 -46.78 19.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 108.02 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.484 ' HG3' ' CE1' ' A' ' 114' ' ' PHE . 99.1 mmm -68.59 -27.86 66.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.987 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 116' ' ' GLU . 1.0 OUTLIER -75.0 -51.2 14.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.505 ' O ' ' CG ' ' A' ' 123' ' ' ARG . 1.4 pt20 -65.65 -59.42 3.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.898 HD22 HG21 ' A' ' 81' ' ' VAL . 7.6 mt -49.03 -23.92 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.4 OUTLIER -64.73 -28.36 69.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.691 ' HG3' HD23 ' A' ' 124' ' ' LEU . 3.1 ptt180 -104.74 -31.54 9.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.691 HD23 ' HG3' ' A' ' 123' ' ' ARG . 9.0 mt -65.9 -64.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.522 HG22 HG23 ' A' ' 76' ' ' ILE . 43.2 p -78.35 -44.19 25.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.434 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 40.77 71.05 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.4 m -104.17 93.43 4.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.981 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 132.3 -149.52 19.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -34.82 3.51 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 71.15 -65.35 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.025 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 87.5 p -65.59 90.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.024 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.464 1.103 . . . . 0.0 110.975 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.7 p -54.56 102.92 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 0.769 . . . . 0.0 110.024 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -166.03 -60.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.03 -125.83 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 m -54.27 135.21 44.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 110.012 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -167.34 83.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.982 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.31 149.96 21.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 0.0 110.957 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -155.23 162.71 40.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.763 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.856 HG22 ' HG ' ' A' ' 10' ' ' LEU . 40.4 mm -79.07 -100.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.856 ' HG ' HG22 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -132.23 -67.01 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.615 ' H ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -179.11 -62.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 109.972 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' SER . 10.2 mt-10 -38.5 157.35 0.11 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 144.59 30.36 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.789 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.901 ' CD1' HD21 ' A' ' 59' ' ' LEU . 5.6 mt -65.8 117.94 7.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.667 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -57.84 154.56 11.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 81.83 -44.7 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.592 ' CH2' ' CD1' ' A' ' 22' ' ' ILE . 22.4 t-105 -37.08 136.17 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 108.022 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -163.65 147.59 10.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.51 137.91 0.14 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.432 1.083 . . . . 0.0 111.03 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 53.35 173.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.77 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -105.37 170.09 8.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.592 ' CD1' ' CH2' ' A' ' 17' ' ' TRP . 11.1 tt -96.02 -28.35 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -68.05 -15.59 63.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.4 p -75.55 -28.88 59.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.361 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.523 HD13 HG11 ' A' ' 55' ' ' VAL . 93.2 mt -71.17 -78.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.62 165.39 21.8 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.406 ' O ' ' HA ' ' A' ' 52' ' ' PHE . 10.2 p-10 -54.37 -179.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.77 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.894 HG22 ' CE1' ' A' ' 52' ' ' PHE . 97.2 t -104.33 105.42 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.592 HG22 ' N ' ' A' ' 30' ' ' PHE . 16.6 mt -52.69 -77.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.592 ' N ' HG22 ' A' ' 29' ' ' ILE . 3.4 t80 -136.42 129.73 31.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 111.035 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.473 ' HB2' HD22 ' A' ' 50' ' ' LEU . 4.8 ptm -128.59 137.36 51.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.41 ' O ' HG13 ' A' ' 34' ' ' VAL . 4.6 p -161.84 152.63 17.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -68.49 107.31 2.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.428 ' HB ' HG13 ' A' ' 106' ' ' VAL . 17.4 m -107.04 175.51 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.585 HG22 ' HG3' ' A' ' 46' ' ' GLU . 2.1 t -126.2 108.61 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.781 ' HG3' HG23 ' A' ' 104' ' ' ILE . 1.7 tmm? -131.55 124.03 29.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -123.37 -173.72 2.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -173.47 -49.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.593 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.96 -27.35 10.35 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 62.54 152.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 0.772 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.3 t -150.62 -74.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 108.332 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.54 -58.69 1.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 44' ' ' LYS . 8.4 mt-10 -149.62 -166.2 2.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 43' ' ' GLU . 13.5 mttt -39.15 157.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 36' ' ' MET . 37.1 mm-40 -113.43 91.68 3.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.585 ' HG3' HG22 ' A' ' 35' ' ' VAL . 15.5 mt-10 -74.43 144.32 44.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.241 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -162.35 169.45 20.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -111.95 124.46 52.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.588 ' HZ ' HD13 ' A' ' 104' ' ' ILE . 1.8 m-30 -113.18 111.32 21.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.054 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.564 ' N ' HD23 ' A' ' 50' ' ' LEU . 1.8 mt -100.34 107.72 19.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.368 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.556 ' HB2' ' CZ3' ' A' ' 117' ' ' TRP . 7.5 tp -85.02 113.61 21.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.894 ' CE1' HG22 ' A' ' 28' ' ' VAL . 7.2 m-30 -95.7 -3.84 45.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.755 ' HA ' HD13 ' A' ' 124' ' ' LEU . 0.4 OUTLIER 83.92 -13.18 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.979 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.02 -8.3 8.3 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.523 HG11 HD13 ' A' ' 25' ' ' LEU . 2.6 p -175.05 153.05 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.883 HD13 ' O ' ' A' ' 56' ' ' LEU . 1.3 tm? -102.42 96.99 7.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.587 HG13 ' CE2' ' A' ' 52' ' ' PHE . 15.0 mm -77.12 139.16 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.699 ' O ' HD12 ' A' ' 59' ' ' LEU . 17.3 mtm -120.19 137.14 54.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.901 HD21 ' CD1' ' A' ' 14' ' ' ILE . 10.0 mp -126.76 158.53 36.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.3 t -140.61 152.14 45.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -141.65 78.59 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.479 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -64.78 -52.81 48.16 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 110.004 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' A' ' 62' ' ' SER . 18.2 Cg_endo -75.01 -174.04 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.785 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -62.52 162.23 10.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.414 ' O ' ' HG3' ' A' ' 65' ' ' MET . 5.1 ptm -47.89 113.53 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.2 t 179.93 85.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.512 ' HA2' HD21 ' A' ' 10' ' ' LEU . . . 69.72 -171.22 41.76 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.813 ' CB ' HD23 ' A' ' 59' ' ' LEU . 8.9 m-85 -136.44 174.96 10.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.765 . . . . 0.0 111.021 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 6.4 ttt -135.27 108.75 7.88 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.492 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . 66.4 t80 -56.06 133.28 51.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -135.74 92.96 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 59.03 169.26 0.25 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -151.34 136.36 17.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.735 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.827 HD12 HD12 ' A' ' 56' ' ' LEU . 10.0 mt -100.23 124.8 41.85 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 136.52 20.46 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.778 HD13 ' SD ' ' A' ' 79' ' ' MET . 14.5 mm -61.31 -26.0 38.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.51 -77.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -82.79 42.59 2.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.778 ' SD ' HD13 ' A' ' 76' ' ' ILE . 10.3 ttm -98.66 111.15 23.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.744 . . . . 0.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 43.2 t -102.03 107.34 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.776 HG21 HD22 ' A' ' 121' ' ' LEU . 4.0 t -116.29 132.8 64.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -151.36 160.49 43.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -90.91 25.47 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.548 HD13 ' OE1' ' A' ' 95' ' ' GLU . 0.2 OUTLIER 40.25 66.28 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -100.71 9.84 41.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -69.59 -6.87 33.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 110.24 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -102.43 -147.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -149.28 48.68 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 119.62 104.62 2.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.02 59.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 0.767 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 56.66 169.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.51 ' O ' ' CG ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -83.64 -78.43 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 108.351 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.51 ' CG ' ' O ' ' A' ' 92' ' ' CYS . 19.6 ptm 44.08 -170.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -166.08 160.2 16.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.669 ' HG2' HG23 ' A' ' 97' ' ' THR . 0.7 OUTLIER -119.02 163.57 16.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 110.225 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.51 HG22 HD13 ' A' ' 74' ' ' ILE . 48.4 mt -130.27 96.37 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.984 HG22 ' HA ' ' A' ' 103' ' ' ARG . 60.8 p -116.36 -175.92 2.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -161.92 -42.97 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.57 -168.09 1.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 0.736 . . . . 0.0 110.001 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.443 ' C ' HG23 ' A' ' 101' ' ' VAL . 12.9 t -93.31 35.12 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.443 HG23 ' C ' ' A' ' 100' ' ' THR . 47.9 t -153.11 -45.64 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -63.83 139.77 58.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.984 ' HA ' HG22 ' A' ' 97' ' ' THR . 49.0 ttp180 -167.5 111.84 0.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.781 HG23 ' HG3' ' A' ' 36' ' ' MET . 4.2 mt -111.79 121.54 64.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.426 ' O ' HG12 ' A' ' 105' ' ' VAL . 4.1 t -99.77 97.63 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.428 HG13 ' HB ' ' A' ' 34' ' ' VAL . 17.1 t -87.57 114.72 26.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -77.07 142.58 39.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.603 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.538 ' CB ' ' CD1' ' A' ' 114' ' ' PHE . 21.5 p -119.18 173.98 6.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 108.319 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -128.62 11.45 6.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 57.8 t30 55.05 100.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -172.46 178.82 2.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.43 -25.76 62.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.256 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.51 -55.5 8.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.538 ' CD1' ' CB ' ' A' ' 108' ' ' CYS . 67.3 t80 -47.53 -58.76 3.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -40.67 -61.07 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.342 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 117' ' ' TRP . 0.0 OUTLIER -39.08 -66.37 0.29 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 110.274 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.586 ' C ' HD12 ' A' ' 121' ' ' LEU . 47.0 m95 -40.03 -56.09 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 108.023 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.04 -44.13 82.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.415 ' CG ' ' N ' ' A' ' 120' ' ' GLN . 1.5 tt0 -54.57 -67.71 0.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.505 ' OE1' ' CG2' ' A' ' 29' ' ' ILE . 8.8 pt20 -53.98 -57.6 10.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.776 HD22 HG21 ' A' ' 81' ' ' VAL . 7.1 mt -42.72 -36.33 1.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -65.21 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.5 ' CG ' ' N ' ' A' ' 124' ' ' LEU . 1.1 ptm180 -61.37 -41.47 97.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.251 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.755 HD13 ' HA ' ' A' ' 53' ' ' SER . 6.6 mt -52.1 -83.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 72.4 p -45.58 -34.79 3.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 0.0 110.393 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt 57.17 78.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.92 113.79 15.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 114.09 149.71 10.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.453 1.096 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -50.44 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 7.9 t -120.72 148.55 43.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.969 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 12.1 t -55.84 -57.38 12.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.59 -57.2 1.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 0.76 . . . . 0.0 109.97 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.82 154.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 109.963 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.78 150.67 19.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.6 m -161.18 173.75 14.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 109.975 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.431 ' O ' HD11 ' A' ' 10' ' ' LEU . 1.4 m -40.91 155.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 110.025 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.73 69.08 2.75 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -170.61 -50.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 110.313 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.55 HD12 ' CE2' ' A' ' 68' ' ' PHE . 1.6 tt -53.62 -20.78 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.431 HD11 ' O ' ' A' ' 6' ' ' SER . 0.2 OUTLIER -117.27 24.42 11.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.8 t -147.27 -69.65 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.987 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -76.81 152.95 83.05 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 170.5 20.28 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.546 HD13 HD21 ' A' ' 59' ' ' LEU . 4.3 mt -88.89 150.23 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.606 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 5.8 tt0 -90.8 133.07 35.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 15' ' ' GLN . . . 77.14 16.61 1.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.268 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.757 ' CH2' HD12 ' A' ' 22' ' ' ILE . 73.5 t-105 -77.93 112.16 14.53 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -59.92 -177.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.85 -169.96 0.26 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.566 1.166 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 61.11 118.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.529 ' CB ' HG23 ' A' ' 24' ' ' THR . 0.4 OUTLIER -55.95 155.23 6.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.757 HD12 ' CH2' ' A' ' 17' ' ' TRP . 13.1 tt -82.37 -32.14 10.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -23.19 62.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.529 HG23 ' CB ' ' A' ' 21' ' ' ASP . 20.8 p -67.41 -28.46 67.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.433 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.93 -65.81 0.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.17 -149.95 17.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -101.68 -174.11 2.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 0.775 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.858 HG22 ' CE1' ' A' ' 52' ' ' PHE . 79.2 t -111.4 95.85 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.66 HD11 ' HB2' ' A' ' 53' ' ' SER . 55.5 mt -49.25 -78.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.571 ' O ' ' CZ2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -123.67 121.07 34.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.965 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.898 ' HE2' HD22 ' A' ' 50' ' ' LEU . 32.1 ttm -123.67 123.96 41.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.2 t -158.88 164.39 35.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -81.49 109.0 15.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.479 ' HB ' HG13 ' A' ' 106' ' ' VAL . 16.8 m -105.05 172.8 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.548 HG22 ' HG3' ' A' ' 46' ' ' GLU . 2.2 t -122.8 116.63 49.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.637 ' O ' ' CB ' ' A' ' 37' ' ' GLN . 1.6 tmm? -140.63 123.66 16.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.637 ' CB ' ' O ' ' A' ' 36' ' ' MET . 4.0 tp-100 97.74 159.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -171.95 158.51 4.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.592 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.62 -174.93 47.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.78 72.61 8.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.7 t -127.98 -53.92 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 108.298 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.416 ' C ' ' HG2' ' A' ' 43' ' ' GLU . 2.4 mt-10 -166.27 -79.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.416 ' HG2' ' C ' ' A' ' 42' ' ' GLU . 5.2 mm-40 -141.16 -169.85 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 110.305 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -42.93 163.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.514 ' CB ' ' HB3' ' A' ' 37' ' ' GLN . 68.6 mm-40 -104.65 86.8 2.55 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.548 ' HG3' HG22 ' A' ' 35' ' ' VAL . 11.4 mt-10 -71.55 148.65 46.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.54 174.44 13.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.416 ' O ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -117.18 128.03 54.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.648 ' C ' HD23 ' A' ' 50' ' ' LEU . 2.8 m-30 -117.55 119.86 36.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.898 HD22 ' HE2' ' A' ' 31' ' ' MET . 0.3 OUTLIER -107.9 111.81 24.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.595 HD21 HD12 ' A' ' 124' ' ' LEU . 6.2 tp -86.94 110.21 19.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.858 ' CE1' HG22 ' A' ' 28' ' ' VAL . 6.8 m-30 -98.6 7.03 46.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.66 ' HB2' HD11 ' A' ' 29' ' ' ILE . 4.5 t 65.44 48.55 2.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.152 . . . . 0.0 110.034 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.415 ' N ' HG13 ' A' ' 76' ' ' ILE . 0.3 OUTLIER 167.02 -26.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.034 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.7 p -149.86 142.49 17.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.78 HD13 ' O ' ' A' ' 56' ' ' LEU . 2.2 tm? -101.59 94.06 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.608 HG13 ' CE2' ' A' ' 52' ' ' PHE . 11.6 mm -76.73 127.44 37.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.585 ' O ' HD12 ' A' ' 59' ' ' LEU . 35.8 mtm -112.61 135.74 52.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.717 HD22 HD11 ' A' ' 50' ' ' LEU . 1.6 mp -121.32 162.13 20.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 69' ' ' MET . 0.7 OUTLIER -140.41 123.37 16.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.984 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.65 158.99 18.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.481 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . 0.1 OUTLIER 173.99 -54.91 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 62' ' ' SER . 18.2 Cg_endo -75.07 -171.49 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.542 1.812 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -128.31 152.17 48.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.301 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.4 tpt 59.7 85.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.3 p 168.32 -31.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.86 -115.92 5.44 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.454 1.097 . . . . 0.0 110.975 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.55 ' CE2' HD12 ' A' ' 9' ' ' ILE . 25.2 m-85 -122.36 158.56 29.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 60' ' ' SER . 5.9 ttt -120.07 130.14 54.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -85.45 148.27 26.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -121.69 -72.53 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 110.288 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -137.7 168.82 24.36 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.145 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -138.29 130.08 28.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 0.0 109.361 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.564 HD11 HD12 ' A' ' 104' ' ' ILE . 14.1 mt -108.51 122.07 41.43 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 129.24 12.15 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.485 1.781 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.812 HD13 ' SD ' ' A' ' 79' ' ' MET . 29.0 mm -54.45 -25.41 14.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.13 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.67 -66.49 0.46 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.435 ' O ' ' CA ' ' A' ' 98' ' ' GLY . . . -84.23 15.41 39.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.812 ' SD ' HD13 ' A' ' 76' ' ' ILE . 22.3 ttm -83.3 143.78 30.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 111.05 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.3 t -125.65 107.98 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.654 HG21 HD22 ' A' ' 121' ' ' LEU . 9.6 t -106.65 139.08 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 84' ' ' LEU . 21.3 m-20 179.78 132.42 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 84' ' ' LEU . 1.7 ptp85 -69.97 57.91 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.433 HD21 ' HB3' ' A' ' 95' ' ' GLU . 4.0 mm? 37.9 88.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.05 114.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.504 ' O ' ' C ' ' A' ' 87' ' ' ILE . 19.2 mt-10 -72.76 -23.3 60.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.778 HG22 ' HG2' ' A' ' 88' ' ' GLU . 47.4 mm 31.56 -106.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.778 ' HG2' HG22 ' A' ' 87' ' ' ILE . 5.4 pt-20 -155.12 107.38 2.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 52.52 50.65 47.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.461 1.101 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.9 t -115.65 87.07 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.785 . . . . 0.0 110.039 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -104.03 145.97 29.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.44 ' O ' ' CE1' ' A' ' 114' ' ' PHE . 0.1 OUTLIER 178.08 -72.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 108.28 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.417 ' O ' ' HA ' ' A' ' 83' ' ' ARG . 2.0 ptm -141.22 162.89 34.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -132.24 169.34 16.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.477 ' OE1' ' CD ' ' A' ' 103' ' ' ARG . 6.3 pt-20 -122.62 141.05 52.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 74.3 mt -110.9 100.87 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.698 HG22 ' HA ' ' A' ' 103' ' ' ARG . 52.5 p -123.77 -175.87 3.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.384 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.435 ' CA ' ' O ' ' A' ' 78' ' ' GLY . . . 178.56 -79.87 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.2 -19.27 13.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 110.028 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.457 HG22 ' H ' ' A' ' 101' ' ' VAL . 49.3 m -90.37 172.37 8.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.368 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.457 ' H ' HG22 ' A' ' 100' ' ' THR . 11.2 m -116.35 -31.66 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.432 ' H ' HG22 ' A' ' 100' ' ' THR . 14.2 tp10 -38.48 -38.8 0.4 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.698 ' HA ' HG22 ' A' ' 97' ' ' THR . 27.9 ttp180 63.72 127.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.564 HD12 HD11 ' A' ' 74' ' ' ILE . 2.3 mt -95.63 109.21 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.438 HG23 ' NE ' ' A' ' 103' ' ' ARG . 50.1 t -96.47 98.35 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.479 HG13 ' HB ' ' A' ' 34' ' ' VAL . 10.5 t -86.46 117.9 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -70.33 148.83 48.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.626 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.514 ' SG ' ' CG ' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -47.78 108.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 108.346 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -41.3 -49.94 3.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -170.78 -66.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -170.69 -70.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.06 -55.93 7.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 1.3 m-20 -48.39 -52.42 21.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.514 ' CG ' ' SG ' ' A' ' 108' ' ' CYS . 12.4 t80 -48.8 -59.01 3.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.12 -46.25 11.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -52.27 -58.7 5.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.295 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.845 ' O ' HD12 ' A' ' 121' ' ' LEU . 54.6 m95 -45.64 -43.51 12.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 107.952 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.411 ' O ' ' HB2' ' A' ' 122' ' ' ASN . 0.0 OUTLIER -65.75 -35.57 81.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 111.028 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 122' ' ' ASN . 0.0 OUTLIER -65.87 -64.0 0.96 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.505 ' O ' ' N ' ' A' ' 123' ' ' ARG . 0.3 OUTLIER -50.01 -58.42 5.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 110.262 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.845 HD12 ' O ' ' A' ' 117' ' ' TRP . 6.5 mt -50.57 -22.67 2.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 119' ' ' GLU . 1.2 t-20 -72.45 -27.78 62.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.718 ' NH1' HD21 ' A' ' 124' ' ' LEU . 4.2 ptm180 -105.31 -33.82 8.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.34 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.718 HD21 ' NH1' ' A' ' 123' ' ' ARG . 19.7 mt -59.12 -77.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.43 ' HA ' ' CG2' ' A' ' 76' ' ' ILE . 70.8 p -48.15 -30.02 4.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.369 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -54.95 -68.48 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.2 t 71.25 -68.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.004 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -124.86 157.15 19.07 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.552 1.157 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 89.32 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.96 150.84 47.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.97 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 88.7 p -173.56 164.61 4.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.035 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 -179.998 . . . . . . . . 0 0 . 1 stop_ save_