data_1wj7_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 1wj7 _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 ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -53.71 -65.75 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.535 ' CE1' HG23 ' A' ' 43' ' ' VAL . 55.2 t80 -53.29 -43.56 67.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.973 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -52.83 -57.86 8.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.86 -40.43 56.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -64.22 -53.03 55.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.346 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.535 HG23 ' CE1' ' A' ' 39' ' ' PHE . 4.8 t -44.8 -54.48 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.5 mtpp -54.75 -41.89 70.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.499 ' O ' ' CD1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -59.69 -36.66 76.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.347 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.467 ' CD2' HG13 ' A' ' 72' ' ' ILE . 19.5 mt -64.97 -45.98 83.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 51' ' ' GLY . 12.7 mt -62.47 -56.41 17.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.19 -43.33 64.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 45' ' ' GLN . 20.9 mt -69.14 -70.11 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.482 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 30.3 p -80.52 -69.74 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.407 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.482 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 106.62 27.51 5.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -84.41 165.38 18.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -44.86 118.93 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.413 ' CB ' HD13 ' A' ' 47' ' ' ILE . 8.9 tt0 -39.02 -60.13 0.9 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -42.5 -51.63 4.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -57.69 -44.04 85.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.301 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.9 m -58.89 -43.53 90.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 108.299 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.439 HG13 ' CE1' ' A' ' 39' ' ' PHE . 56.0 t -61.94 -39.61 84.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.0 mt -70.83 -53.53 21.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.5 -58.93 4.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.456 ' HB2' ' CD1' ' A' ' 46' ' ' LEU . 9.1 tp -46.46 -58.7 3.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -54.31 -58.1 8.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.615 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.42 -48.15 2.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 0.8 OUTLIER -61.92 -62.47 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 108.296 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 5.9 m-20 156.4 -25.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 133.74 43.89 0.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.69 112.57 13.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.1 t -51.91 -45.21 39.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -60.67 -62.7 1.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -46.68 -43.87 18.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -59.92 -57.03 14.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.467 HG13 ' CD2' ' A' ' 46' ' ' LEU . 11.1 mt -45.96 -45.42 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.1 -37.51 61.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 71' ' ' ALA . 49.9 t -83.07 -52.36 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.2 mt -48.01 -56.57 7.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 41.8 mt . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -52.1 -62.61 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -53.13 -40.37 64.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -57.06 -56.8 17.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.49 -39.82 64.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.42 ' HB3' ' CG2' ' A' ' 68' ' ' VAL . 31.4 mttt -61.3 -54.3 45.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.463 HG12 ' CG2' ' A' ' 58' ' ' VAL . 24.7 t -42.2 -57.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -53.33 -46.73 69.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.474 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -52.18 -40.62 61.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.465 HD12 ' CB ' ' A' ' 71' ' ' ALA . 12.4 mt -63.46 -44.9 93.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.415 HD13 ' CB ' ' A' ' 54' ' ' GLN . 13.0 mt -62.94 -56.05 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.21 -38.97 71.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.474 ' CG1' ' O ' ' A' ' 45' ' ' GLN . 48.5 mt -69.2 -69.69 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.484 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 32.1 p -85.23 -69.2 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.422 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.484 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 109.84 22.23 6.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.572 1.17 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -75.73 176.57 7.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 0.0 109.342 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -56.32 118.06 4.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.415 ' CB ' HD13 ' A' ' 47' ' ' ILE . 35.7 tt0 -38.84 -59.33 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.58 -49.79 13.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -59.7 -47.36 85.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 74.5 m -58.82 -51.23 70.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 108.321 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.463 ' CG2' HG12 ' A' ' 43' ' ' VAL . 79.3 t -58.02 -35.76 53.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.7 mt -71.79 -62.99 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -49.59 -46.82 49.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 67' ' ' ASP . 8.5 tp -47.18 -66.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -60.73 -54.55 43.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.609 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -40.04 -46.14 2.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -68.59 -70.32 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 108.306 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.0 t30 174.5 40.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 56.58 16.74 17.34 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.536 1.147 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.504 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -100.61 134.31 43.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 0.802 . . . . 0.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.42 ' CG2' ' HB3' ' A' ' 42' ' ' LYS . 3.6 t -68.54 -36.84 76.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.21 -64.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -43.02 -37.03 1.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.465 ' CB ' HD12 ' A' ' 46' ' ' LEU . . . -65.26 -58.07 6.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.455 ' CG2' HD12 ' A' ' 76' ' ' LEU . 28.2 mt -41.28 -40.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.15 -49.36 69.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 71' ' ' ALA . 55.0 t -78.66 -51.01 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.1 mt -45.48 -60.83 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.455 HD12 ' CG2' ' A' ' 72' ' ' ILE . 42.7 mt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -47.35 -64.88 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.446 ' CZ ' HG11 ' A' ' 58' ' ' VAL . 63.0 t80 -53.0 -42.8 65.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -55.45 -56.8 16.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.132 . . . . 0.0 110.291 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -40.49 62.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.44 ' HB3' ' CG2' ' A' ' 68' ' ' VAL . 34.0 mttt -60.55 -55.15 36.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.459 HG11 ' CG2' ' A' ' 58' ' ' VAL . 48.6 t -43.33 -55.6 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 109.359 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -53.59 -49.69 67.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -50.45 -41.82 53.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 61' ' ' LEU . 16.5 mt -60.96 -46.11 92.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.426 HD13 ' CB ' ' A' ' 54' ' ' GLN . 13.1 mt -62.58 -50.53 79.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -41.81 93.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 17.6 mt -68.37 -69.84 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.492 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 44.1 p -82.23 -75.19 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.492 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 113.81 26.46 3.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -83.49 169.38 15.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' GLN . 57.8 m-20 -46.66 119.2 2.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.426 ' CB ' HD13 ' A' ' 47' ' ' ILE . 46.6 tt0 -38.76 -59.65 0.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -44.99 -51.31 10.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.23 -44.91 84.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 78.1 m -58.43 -52.38 65.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.291 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.459 ' CG2' HG11 ' A' ' 43' ' ' VAL . 87.9 t -56.49 -32.27 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 23.7 mt -75.98 -65.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.03 -33.22 4.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.501 ' CD1' ' C ' ' A' ' 67' ' ' ASP . 6.7 tp -65.56 -66.34 0.56 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -57.34 -53.53 57.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.559 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -40.6 -47.77 2.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -70.18 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 108.302 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 169.65 41.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.18 12.19 36.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.448 1.092 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.501 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -96.29 131.18 43.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.751 . . . . 0.0 109.297 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.44 ' CG2' ' HB3' ' A' ' 42' ' ' LYS . 3.3 t -71.3 -40.09 73.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.418 1.074 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.73 -59.43 4.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -48.16 -46.47 34.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 110.338 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -59.08 -52.02 67.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.463 HG13 ' CD2' ' A' ' 46' ' ' LEU . 13.4 mt -45.16 -48.34 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -50.54 -37.22 38.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 71' ' ' ALA . 62.0 t -83.49 -52.55 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.353 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.403 ' CD1' HD21 ' A' ' 46' ' ' LEU . 13.6 mt -49.31 -49.93 41.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.409 HD13 ' CG2' ' A' ' 72' ' ' ILE . 35.1 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -47.71 -65.75 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.449 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 46.4 t80 -52.93 -40.83 63.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -56.73 -56.68 18.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.266 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.71 -36.91 62.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -65.27 -56.35 13.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.434 HG11 ' CG2' ' A' ' 58' ' ' VAL . 30.0 t -43.1 -51.56 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -57.76 -44.31 86.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.499 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 0.4 OUTLIER -55.57 -37.66 68.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.343 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.462 ' CD2' HG13 ' A' ' 72' ' ' ILE . 14.3 mt -65.47 -45.14 84.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 51' ' ' GLY . 13.2 mt -63.54 -57.37 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.31 -41.02 65.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 45' ' ' GLN . 41.0 mt -68.92 -69.68 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 31.3 p -81.88 -69.62 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.471 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 108.13 22.51 7.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.553 1.158 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -77.42 -177.78 4.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 0.753 . . . . 0.0 109.333 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -61.33 118.85 7.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.435 ' CB ' HD13 ' A' ' 47' ' ' ILE . 23.9 tt0 -39.02 -59.99 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -42.42 -48.05 5.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.56 -53.41 52.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 98.9 m -48.35 -46.15 36.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 108.315 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.449 HG13 ' CZ ' ' A' ' 39' ' ' PHE . 71.1 t -62.62 -36.92 77.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.6 mt -67.22 -63.51 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.77 -49.81 14.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.474 ' CD1' ' O ' ' A' ' 67' ' ' ASP . 4.8 tp -49.58 -61.99 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' ASP . 4.1 t60 -58.21 -59.41 5.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.593 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' HIS . 1.3 t0 -40.4 -47.6 2.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 1.4 m -64.17 -69.16 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 108.269 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 7.7 m-20 157.54 45.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.81 14.08 54.11 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.474 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -95.76 133.97 39.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 0.774 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.7 t -78.48 -38.27 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -64.84 -64.53 0.85 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -45.41 -43.6 11.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.48 -55.03 40.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.462 HG13 ' CD2' ' A' ' 46' ' ' LEU . 8.1 mt -47.18 -43.26 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.57 -39.79 68.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.1 t -81.06 -52.82 13.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.8 mt -45.5 -53.56 8.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.8 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -47.33 -62.47 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -57.54 -41.19 80.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -56.97 -56.29 23.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.75 -35.48 68.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -64.83 -53.21 50.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.463 HG11 ' CG2' ' A' ' 58' ' ' VAL . 50.4 t -42.77 -57.98 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -52.41 -48.79 65.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.458 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -49.74 -40.87 42.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 110.289 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.471 HD13 ' CB ' ' A' ' 71' ' ' ALA . 13.3 mt -63.81 -44.64 92.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 51' ' ' GLY . 12.1 mt -61.98 -58.5 7.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.23 -42.08 66.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.458 ' CG1' ' O ' ' A' ' 45' ' ' GLN . 27.2 mt -64.38 -69.69 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.487 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 32.8 p -86.52 -69.59 0.66 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.406 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.487 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 111.94 24.08 5.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -78.55 167.36 21.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -48.54 119.13 2.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.427 ' CB ' HD13 ' A' ' 47' ' ' ILE . 50.8 tt0 -38.75 -55.95 1.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -46.69 -49.29 19.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.36 -48.5 81.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.267 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 59.2 m -56.92 -54.27 48.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 108.343 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.463 ' CG2' HG11 ' A' ' 43' ' ' VAL . 79.3 t -52.89 -31.96 17.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' ALA . 26.5 mt -77.64 -70.32 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' ILE . . . -40.03 -47.24 2.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 67' ' ' ASP . 5.8 tp -46.98 -66.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 63' ' ' ASP . 4.7 t60 -62.6 -52.39 63.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 109.589 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' HIS . 0.7 OUTLIER -40.15 -45.73 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -70.67 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 108.284 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.6 t30 176.68 38.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.421 ' C ' ' CD1' ' A' ' 61' ' ' LEU . . . 58.87 14.84 25.14 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 111.029 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.497 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -99.24 140.97 32.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.76 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.1 t -73.87 -45.56 49.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -61.55 -61.85 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -45.94 -38.09 7.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.246 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.471 ' CB ' HD13 ' A' ' 46' ' ' LEU . . . -66.13 -55.51 16.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.454 HG13 ' CD2' ' A' ' 46' ' ' LEU . 9.7 mt -46.18 -35.19 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.49 -41.34 94.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 71' ' ' ALA . 59.7 t -83.86 -50.91 14.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.6 mt -45.03 -54.12 6.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.7 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -52.27 -71.69 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.575 ' CE2' HG21 ' A' ' 43' ' ' VAL . 71.1 t80 -55.15 -48.96 72.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 111.039 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.97 -61.84 1.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.9 -47.14 32.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.458 ' HB3' ' CG2' ' A' ' 68' ' ' VAL . 17.0 mttt -54.71 -52.84 61.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.575 HG21 ' CE2' ' A' ' 39' ' ' PHE . 39.0 t -47.25 -56.89 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -52.91 -47.92 67.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.492 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 2.0 mm-40 -50.91 -38.89 52.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.466 ' CD2' HG13 ' A' ' 72' ' ' ILE . 12.8 mt -65.91 -47.3 75.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.445 HD12 ' CB ' ' A' ' 54' ' ' GLN . 18.8 mt -63.26 -48.15 88.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.31 -40.02 96.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 45' ' ' GLN . 44.0 mt -70.59 -69.9 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.48 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 33.5 p -85.92 -70.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.372 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.48 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 108.66 25.89 5.54 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -77.22 173.15 12.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.751 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -46.59 115.68 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.445 ' CB ' HD12 ' A' ' 47' ' ' ILE . 26.7 tt0 -38.47 -58.04 1.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.26 -60.76 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 60' ' ' ALA . 17.7 mm-40 -45.12 -45.34 11.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 66.5 m -56.77 -55.55 32.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 108.336 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.431 HG12 ' CE2' ' A' ' 39' ' ' PHE . 41.7 t -51.28 -46.58 33.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.5 mt -64.82 -71.13 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 56' ' ' GLU . . . -40.47 -48.69 2.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 66' ' ' GLY . 8.8 tp -46.44 -65.3 0.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.148 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' ASP . 5.0 t60 -62.29 -53.83 49.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.599 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' HIS . 1.4 t0 -39.63 -52.22 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -62.84 -69.43 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 108.305 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 t30 171.07 41.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . 55.8 17.53 15.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.095 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.97 124.43 46.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 42' ' ' LYS . 3.1 t -61.8 -37.37 77.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -68.24 -65.17 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.4 ' O ' ' SG ' ' A' ' 64' ' ' CYS . 7.4 mmt180 -44.94 -38.19 4.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -62.51 -54.42 40.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.47 HG22 ' CD1' ' A' ' 76' ' ' LEU . 7.3 mt -41.17 -47.77 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -49.04 -46.64 44.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 71' ' ' ALA . 46.9 t -77.18 -52.79 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.419 ' CD1' HD12 ' A' ' 46' ' ' LEU . 9.1 mt -47.36 -65.07 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.47 ' CD1' HG22 ' A' ' 72' ' ' ILE . 31.5 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -48.9 -60.78 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.441 ' CE2' HG11 ' A' ' 58' ' ' VAL . 55.6 t80 -52.4 -41.67 63.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -55.99 -56.81 16.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.69 -40.58 63.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.335 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.467 ' HB3' ' CG2' ' A' ' 68' ' ' VAL . 27.1 mttt -60.33 -54.57 44.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.464 ' CG2' HG23 ' A' ' 58' ' ' VAL . 42.4 t -44.57 -54.57 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -54.4 -47.34 72.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.421 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 1.0 OUTLIER -52.27 -39.23 60.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.458 ' CD2' HG13 ' A' ' 72' ' ' ILE . 12.8 mt -64.43 -45.08 89.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.426 HD12 ' CB ' ' A' ' 54' ' ' GLN . 26.8 mt -64.94 -41.38 91.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.82 -36.01 72.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.421 ' CG1' ' O ' ' A' ' 45' ' ' GLN . 47.4 mt -75.58 -69.93 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.494 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 37.1 p -80.49 -73.49 0.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.359 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.494 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 111.35 27.25 4.25 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -84.22 175.48 9.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.76 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -54.06 119.31 4.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.426 ' CB ' HD12 ' A' ' 47' ' ' ILE . 42.5 tt0 -38.71 -60.58 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -44.31 -50.97 8.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -59.24 -45.93 89.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 110.339 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 87.8 m -55.62 -52.26 64.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 108.317 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.464 HG23 ' CG2' ' A' ' 43' ' ' VAL . 77.7 t -58.19 -34.72 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 52.6 mt -66.43 -58.52 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.62 -49.13 71.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.422 HD11 ' N ' ' A' ' 67' ' ' ASP . 5.5 tp -48.55 -61.77 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -59.96 -55.02 39.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.584 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -40.77 -52.44 2.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 0.5 OUTLIER -65.24 -69.56 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 108.333 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 2.8 m-20 155.66 69.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 65' ' ' ASN . . . 37.34 31.02 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.463 ' CB ' ' HG3' ' A' ' 70' ' ' ARG . 0.2 OUTLIER -111.64 110.75 21.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' A' ' 42' ' ' LYS . 3.1 t -59.38 -39.69 79.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -65.19 -61.78 1.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.463 ' HG3' ' CB ' ' A' ' 67' ' ' ASP . 13.1 mmt180 -48.74 -41.15 31.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -58.78 -51.06 71.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.458 HG13 ' CD2' ' A' ' 46' ' ' LEU . 10.1 mt -51.76 -37.71 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.87 -24.5 67.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.401 ' CG2' ' SG ' ' A' ' 64' ' ' CYS . 57.9 t -95.34 -51.1 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.9 mt -49.08 -50.46 36.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.4 mt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.138 . . . . 0.0 109.26 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -42.7 -59.09 2.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.68 ' CE2' ' CG2' ' A' ' 43' ' ' VAL . 69.4 t80 -58.28 -43.54 88.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -51.23 -58.66 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.39 -30.68 41.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.6 mttt -73.47 -51.1 18.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.68 ' CG2' ' CE2' ' A' ' 39' ' ' PHE . 73.7 t -46.97 -52.89 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.246 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -56.1 -41.66 75.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.472 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -57.33 -37.23 72.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.471 ' CD2' HG13 ' A' ' 72' ' ' ILE . 14.0 mt -64.15 -43.17 96.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.465 HD13 ' CB ' ' A' ' 54' ' ' GLN . 12.6 mt -62.76 -59.56 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.12 -41.25 64.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.472 ' CG1' ' O ' ' A' ' 45' ' ' GLN . 35.0 mt -64.96 -69.67 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.486 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 32.0 p -86.3 -69.43 0.67 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.486 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 112.41 24.06 5.2 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -78.6 -178.32 5.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.77 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -61.83 119.45 8.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.465 ' CB ' HD13 ' A' ' 47' ' ' ILE . 21.0 tt0 -39.67 -58.11 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -46.96 -54.69 9.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -53.06 -43.39 66.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.5 m -57.63 -53.26 60.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 108.296 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.426 HG13 ' CZ ' ' A' ' 39' ' ' PHE . 69.5 t -50.96 -44.97 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.9 mt -56.91 -63.25 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.5 -64.17 0.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.444 ' HB2' ' CD1' ' A' ' 46' ' ' LEU . 15.8 tp -45.27 -60.62 2.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -49.1 -52.18 27.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.593 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -55.49 -50.44 69.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 36.4 m -62.87 -20.14 64.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 108.317 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 48.2 t30 81.84 59.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.27 39.09 95.79 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.433 ' CB ' ' HB3' ' A' ' 64' ' ' CYS . 0.5 OUTLIER -110.53 102.43 11.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 0.726 . . . . 0.0 109.263 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.5 t -68.44 -31.84 52.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -74.04 -66.6 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.94 -37.48 14.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.4 -46.46 88.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.272 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.471 HG13 ' CD2' ' A' ' 46' ' ' LEU . 12.7 mt -54.85 -42.33 62.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.93 -40.26 88.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.5 t -74.4 -56.07 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.3 mt -49.81 -57.98 6.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.458 HD11 ' CG2' ' A' ' 72' ' ' ILE . 75.0 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -51.44 -66.58 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.432 ' CE2' ' CG2' ' A' ' 43' ' ' VAL . 68.7 t80 -55.72 -39.22 70.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -55.02 -57.91 9.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.19 -29.41 45.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.4 ' HD3' ' CG2' ' A' ' 68' ' ' VAL . 17.0 mttm -73.35 -52.29 14.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.433 HG13 ' CG2' ' A' ' 58' ' ' VAL . 75.7 t -44.31 -48.48 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -60.48 -50.67 72.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.48 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -49.88 -39.11 38.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.264 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.468 ' CD2' HG13 ' A' ' 72' ' ' ILE . 19.9 mt -61.55 -42.09 98.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 109.241 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' GLY . 14.3 mt -64.49 -59.99 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.94 -38.98 65.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.48 ' CG1' ' O ' ' A' ' 45' ' ' GLN . 46.8 mt -67.08 -69.56 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.47 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 31.6 p -84.44 -69.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.374 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.47 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 112.2 23.26 5.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 111.045 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -79.46 179.89 7.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -61.92 120.99 11.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.426 ' CB ' HD13 ' A' ' 47' ' ' ILE . 14.4 tt0 -38.91 -60.19 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.35 -58.05 2.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -48.47 -45.29 36.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 85.0 m -56.7 -52.55 64.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 108.325 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.433 ' CG2' HG13 ' A' ' 43' ' ' VAL . 79.9 t -52.49 -42.89 40.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.7 mt -63.45 -55.34 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.88 -66.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 65' ' ' ASN . 15.6 tp -44.25 -59.38 2.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -49.55 -48.36 48.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.607 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -60.29 -48.71 80.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 39.2 m -69.91 -9.05 53.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 108.262 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 61' ' ' LEU . 1.9 m-20 66.99 76.55 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 48.51 47.83 28.77 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.419 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 0.4 OUTLIER -119.47 93.66 4.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.743 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.4 ' CG2' ' HD3' ' A' ' 42' ' ' LYS . 3.0 t -63.42 -37.47 79.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -66.95 -66.45 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.24 -41.25 49.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 67' ' ' ASP . . . -59.65 -46.92 87.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.468 HG13 ' CD2' ' A' ' 46' ' ' LEU . 13.4 mt -52.92 -41.63 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.27 -38.91 91.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.6 t -74.27 -56.69 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.6 mt -49.9 -54.54 18.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.9 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.343 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -42.16 -61.45 1.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.703 ' CE1' ' CG2' ' A' ' 43' ' ' VAL . 53.7 t80 -56.2 -46.08 79.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -50.05 -58.33 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.55 -34.9 59.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -69.66 -49.05 57.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 0.0 109.331 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.703 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 93.7 t -46.71 -51.11 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.8 mtpp -58.26 -51.52 69.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.456 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 0.4 OUTLIER -48.33 -37.23 16.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.469 ' CD2' HG13 ' A' ' 72' ' ' ILE . 18.4 mt -66.14 -46.19 78.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.444 HD12 ' CB ' ' A' ' 54' ' ' GLN . 26.2 mt -64.8 -40.68 89.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.53 -37.13 74.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.459 HG22 ' CD1' ' A' ' 72' ' ' ILE . 41.1 mt -74.76 -69.9 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.497 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 41.7 p -79.88 -74.94 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.394 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.497 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 112.9 26.58 4.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -82.02 179.4 7.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 0.774 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -58.55 119.44 7.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.444 ' CB ' HD12 ' A' ' 47' ' ' ILE . 31.0 tt0 -38.83 -57.03 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -45.43 -62.45 1.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -49.02 -42.51 38.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.333 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 85.3 m -59.43 -44.94 92.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.088 . . . . 0.0 108.303 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.3 t -60.17 -53.16 52.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mp -55.56 -55.8 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.82 -66.39 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.448 ' CD1' ' C ' ' A' ' 67' ' ' ASP . 13.1 tp -41.34 -57.78 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -53.04 -49.4 66.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.593 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -57.46 -50.7 72.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.351 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 73.5 m -65.15 -16.31 63.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 108.354 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 11.3 t-20 81.49 74.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 44.57 41.22 6.78 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.448 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 1.3 t70 -115.7 108.67 16.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.7 t -74.51 -38.61 46.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -63.93 -66.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -49.98 -34.51 21.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 110.342 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -64.98 -58.23 6.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.469 HG13 ' CD2' ' A' ' 46' ' ' LEU . 11.6 mt -40.27 -38.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -63.86 -51.76 63.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' ALA . 39.7 t -66.93 -56.36 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.6 mt -46.18 -58.29 3.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.3 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -49.2 -66.99 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CE1' ' CG2' ' A' ' 43' ' ' VAL . 39.5 t80 -50.49 -42.43 54.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -51.73 -58.67 5.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.6 -35.46 54.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -66.53 -52.44 45.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.567 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 76.6 t -44.37 -51.27 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -58.22 -44.69 88.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.37 -38.88 72.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.459 ' CD2' HG13 ' A' ' 72' ' ' ILE . 37.5 mt -61.64 -45.48 93.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.459 HD13 ' CB ' ' A' ' 54' ' ' GLN . 13.4 mt -62.02 -57.7 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.1 -43.59 63.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.464 HG23 ' CD1' ' A' ' 72' ' ' ILE . 23.1 mt -67.46 -69.89 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.49 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 31.1 p -82.81 -69.85 0.6 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.145 . . . . 0.0 110.454 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.49 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 109.2 19.54 8.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -75.44 164.53 26.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -43.76 119.2 1.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.459 ' CB ' HD13 ' A' ' 47' ' ' ILE . 15.4 tt0 -38.98 -54.54 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.48 -57.18 5.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -49.84 -50.8 44.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.247 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 71.2 m -49.73 -49.27 48.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 108.318 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.442 ' CG2' HG11 ' A' ' 43' ' ' VAL . 92.6 t -57.1 -55.3 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.0 mt -54.29 -48.56 67.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.7 -60.69 3.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . 12.1 tp -46.11 -60.99 1.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -53.74 -56.26 18.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.652 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -41.52 -53.32 3.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.41 -68.5 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 108.315 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 t30 168.79 -35.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.34 44.8 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.558 1.161 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.43 108.33 9.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 0.788 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.429 HG12 ' CD1' ' A' ' 72' ' ' ILE . 22.3 t -47.53 -44.14 9.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -58.95 -59.64 5.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -53.4 -48.27 68.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.89 -49.27 71.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.464 ' CD1' HG23 ' A' ' 49' ' ' ILE . 9.3 mt -51.25 -48.69 32.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.76 -37.58 42.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.0 t -80.43 -53.79 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.7 mt -49.18 -58.22 5.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 53.9 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.961 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -49.36 -55.48 12.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.346 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.563 ' CE1' HG23 ' A' ' 43' ' ' VAL . 47.5 t80 -60.7 -44.18 96.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -52.88 -57.62 9.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -36.72 44.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.448 ' HB3' ' CG2' ' A' ' 68' ' ' VAL . 35.7 mttp -66.75 -55.77 13.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.563 HG23 ' CE1' ' A' ' 39' ' ' PHE . 36.0 t -41.28 -52.7 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -56.66 -45.79 81.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.488 ' O ' ' CD1' ' A' ' 49' ' ' ILE . 0.5 OUTLIER -55.79 -37.14 68.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.442 ' CD1' ' HB2' ' A' ' 61' ' ' LEU . 48.4 mt -63.91 -45.33 89.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.469 HD11 ' CB ' ' A' ' 54' ' ' GLN . 14.3 mt -61.76 -57.6 11.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.24 -45.12 61.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 45' ' ' GLN . 14.0 mt -67.02 -70.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.494 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 30.9 p -82.73 -70.07 0.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.494 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 110.13 17.61 9.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -72.81 161.61 30.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.783 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -42.66 119.72 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.469 ' CB ' HD11 ' A' ' 47' ' ' ILE . 30.8 tt0 -39.25 -53.42 1.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.255 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -50.18 -50.64 48.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -55.32 -47.6 75.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 62.6 m -53.0 -49.47 66.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 108.273 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.414 HG13 ' CE1' ' A' ' 39' ' ' PHE . 69.4 t -55.74 -49.4 74.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.9 mt -59.8 -51.68 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.18 -62.25 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.442 ' HB2' ' CD1' ' A' ' 46' ' ' LEU . 11.4 tp -43.38 -56.74 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -57.08 -51.84 67.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.58 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -40.13 -42.1 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.414 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -79.56 -61.35 2.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 108.28 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.414 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.7 OUTLIER 162.29 -48.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.5 43.48 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.25 98.47 5.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.448 ' CG2' ' HB3' ' A' ' 42' ' ' LYS . 3.6 t -44.24 -46.29 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -57.3 -60.67 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -53.53 -48.97 68.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.39 -49.9 63.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.461 ' CD1' HG23 ' A' ' 49' ' ' ILE . 8.8 mt -48.93 -50.62 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -53.32 -35.15 59.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.9 t -78.11 -55.79 9.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.4 mt -47.74 -58.97 3.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 76.5 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -42.21 -65.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.441 ' CZ ' HG11 ' A' ' 58' ' ' VAL . 56.1 t80 -53.4 -42.91 67.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -54.24 -57.5 10.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -50.46 -38.65 44.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.289 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.468 ' CG ' HG22 ' A' ' 68' ' ' VAL . 29.2 mttm -62.1 -58.32 8.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.466 HG12 ' CG2' ' A' ' 58' ' ' VAL . 54.9 t -40.44 -55.82 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -53.61 -47.81 69.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -40.57 61.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.352 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.465 ' CD2' HG13 ' A' ' 72' ' ' ILE . 21.1 mt -64.57 -52.41 57.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.44 HD12 ' CB ' ' A' ' 54' ' ' GLN . 17.3 mt -58.4 -35.76 55.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.53 -48.19 56.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.4 mt -68.83 -70.34 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 43.8 p -74.38 -80.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.521 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 114.8 29.39 2.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt -86.64 175.98 8.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -56.08 119.65 6.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.44 ' CB ' HD12 ' A' ' 47' ' ' ILE . 34.2 tt0 -38.97 -55.2 1.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -45.77 -50.87 13.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.35 -52.97 61.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 56.3 m -51.63 -49.83 61.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 108.283 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.466 ' CG2' HG12 ' A' ' 43' ' ' VAL . 73.3 t -59.57 -46.83 92.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 15.9 mt -59.2 -57.29 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.68 -52.72 59.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 67' ' ' ASP . 17.6 tp -41.61 -56.94 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -67.88 -52.67 33.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.645 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -41.33 -51.92 3.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -64.3 -71.16 0.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 108.277 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 67' ' ' ASP . 23.6 t30 168.73 60.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 37.73 30.55 0.07 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.426 1.079 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' ASN . 0.1 OUTLIER -114.5 125.14 53.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 0.747 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.468 HG22 ' CG ' ' A' ' 42' ' ' LYS . 4.5 t -63.84 -44.13 98.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -62.17 -63.27 1.3 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -46.55 -38.58 9.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -63.12 -58.59 6.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.466 ' CG2' HD12 ' A' ' 76' ' ' LEU . 7.5 mt -39.81 -43.64 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.82 -51.99 52.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 71' ' ' ALA . 60.1 t -74.39 -52.72 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.46 ' CD1' HD21 ' A' ' 46' ' ' LEU . 5.1 mt -42.49 -55.22 3.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.466 HD12 ' CG2' ' A' ' 72' ' ' ILE . 36.3 mt . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -47.71 -65.69 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.492 ' CE1' ' CG2' ' A' ' 43' ' ' VAL . 24.4 t80 -55.65 -42.69 75.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -56.21 -56.55 19.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.26 -29.48 58.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.448 ' HB3' ' CG2' ' A' ' 68' ' ' VAL . 72.2 mttt -76.98 -59.24 2.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.492 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 71.9 t -44.81 -41.12 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.478 ' HA ' ' CD1' ' A' ' 47' ' ' ILE . 20.2 tttt -70.17 -38.96 75.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.49 ' O ' ' CD1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -60.19 -32.15 70.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.336 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.464 HD21 ' CD1' ' A' ' 75' ' ' LEU . 10.4 mt -66.4 -34.13 77.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 44' ' ' LYS . 22.0 mt -64.11 -59.79 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.32 -34.86 66.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 45' ' ' GLN . 26.1 mt -71.7 -69.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 29.3 p -78.64 -70.08 0.52 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.504 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 113.69 18.32 7.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -84.01 -178.8 7.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.338 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -66.02 114.69 5.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 57' ' ' CYS . 36.0 tt0 -38.36 -58.83 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.49 -50.57 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.2 -41.87 93.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 54' ' ' GLN . 93.8 m -57.51 -39.0 75.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 108.288 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.471 HG23 ' CG1' ' A' ' 43' ' ' VAL . 65.7 t -63.04 -32.82 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 20.4 mt -75.78 -58.15 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.07 -50.68 63.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.496 ' CD1' ' C ' ' A' ' 67' ' ' ASP . 11.3 tp -53.87 -66.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -49.86 -61.26 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.6 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -41.3 -53.15 3.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 0.8 OUTLIER -55.0 -69.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 108.265 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 7.1 m-20 156.7 45.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.13 16.04 52.14 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.496 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -96.19 121.99 38.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 0.743 . . . . 0.0 109.337 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.448 ' CG2' ' HB3' ' A' ' 42' ' ' LYS . 2.9 t -68.23 -37.43 78.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -67.45 -62.57 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -47.44 -36.36 9.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -60.89 -53.72 53.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.43 HG13 ' CD2' ' A' ' 46' ' ' LEU . 5.2 mt -44.65 -46.64 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.59 -39.69 58.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' ALA . 48.3 t -81.5 -52.57 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.464 ' CD1' HD21 ' A' ' 46' ' ' LEU . 14.6 mt -48.91 -53.93 17.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.7 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.14 -59.6 1.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -56.63 -40.55 75.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -58.8 -55.48 34.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.35 -32.98 70.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.35 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.478 ' HB3' ' CG2' ' A' ' 68' ' ' VAL . 86.6 mttt -69.72 -52.08 28.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.9 t -45.41 -52.96 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.484 ' HA ' ' CD1' ' A' ' 47' ' ' ILE . 6.6 tttt -62.16 -45.53 92.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.502 ' O ' ' CD1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -52.9 -34.52 55.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.266 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.473 ' CD2' HG13 ' A' ' 72' ' ' ILE . 9.9 mt -64.94 -33.97 77.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.484 ' CD1' ' HA ' ' A' ' 44' ' ' LYS . 30.7 mt -64.04 -59.66 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.27 -33.3 67.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 45' ' ' GLN . 24.9 mt -72.57 -70.03 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.502 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 30.1 p -73.79 -70.11 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.371 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.502 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 116.44 14.71 7.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -79.84 -151.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -99.92 126.0 46.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -37.99 -63.94 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.263 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.29 -60.87 0.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -52.24 -43.5 64.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 92.0 m -58.69 -41.9 87.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 108.33 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.0 t -60.4 -51.31 74.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.2 mt -56.47 -58.89 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.17 -58.32 6.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.501 ' CD1' ' C ' ' A' ' 67' ' ' ASP . 8.6 tp -41.04 -56.99 2.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.09 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 63' ' ' ASP . 3.6 t60 -62.48 -56.35 18.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.617 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 62' ' ' HIS . 0.3 OUTLIER -39.99 -54.42 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 70' ' ' ARG . 0.2 OUTLIER -57.8 -70.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 108.309 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 167.85 41.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . 60.22 13.87 30.42 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 110.961 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.501 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -97.34 130.99 44.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.744 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 42' ' ' LYS . 3.3 t -69.32 -44.6 80.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -59.55 -59.66 5.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.404 ' O ' ' SG ' ' A' ' 64' ' ' CYS . 32.0 mmt180 -51.87 -35.86 46.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -63.54 -55.26 25.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.473 HG13 ' CD2' ' A' ' 46' ' ' LEU . 5.3 mt -47.76 -30.49 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.01 -39.58 90.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 71' ' ' ALA . 57.6 t -85.59 -50.9 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.2 mt -47.09 -61.21 1.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.458 HD12 ' CG2' ' A' ' 72' ' ' ILE . 51.2 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -52.09 -65.61 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.683 ' CE1' ' CG2' ' A' ' 43' ' ' VAL . 48.5 t80 -57.15 -42.87 81.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -51.05 -58.88 4.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.94 -39.07 58.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -65.24 -48.71 72.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.683 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 93.9 t -47.55 -51.98 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -57.09 -52.92 63.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.53 -40.43 18.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.342 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.464 ' CD2' HG13 ' A' ' 72' ' ' ILE . 18.4 mt -62.78 -60.72 3.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.472 HD13 ' CB ' ' A' ' 54' ' ' GLN . 10.0 mt -48.07 -27.2 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.9 -35.22 20.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.458 HG23 ' CD1' ' A' ' 72' ' ' ILE . 10.3 mt -81.97 -71.93 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.459 HG22 ' CB ' ' A' ' 75' ' ' LEU . 0.5 OUTLIER -57.07 -83.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.422 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 133.85 -9.34 4.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -65.81 -177.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -78.73 156.53 28.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.472 ' CB ' HD13 ' A' ' 47' ' ' ILE . 26.7 tt0 -55.29 -62.61 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.414 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 48.3 m-20 -40.18 -42.69 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -70.83 -48.07 56.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 5.6 m -57.05 -44.65 83.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 108.316 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.8 t -59.51 -47.31 91.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.414 ' CD1' ' O ' ' A' ' 55' ' ' ASP . 18.1 mt -59.73 -47.71 90.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.463 ' CB ' ' HG ' ' A' ' 75' ' ' LEU . . . -57.66 -67.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.4 tp -42.65 -57.95 2.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -53.31 -45.36 68.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.565 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -41.76 -51.17 4.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.364 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.435 ' SG ' ' CB ' ' A' ' 70' ' ' ARG . 11.8 t -71.2 -69.43 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 108.306 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.451 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 5.4 p-10 166.88 -31.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 151.94 44.2 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.17 108.9 13.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.0 t -55.58 -37.27 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -68.07 -64.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.435 ' CB ' ' SG ' ' A' ' 64' ' ' CYS . 8.0 mmt-85 -49.94 -45.77 51.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.34 -48.0 71.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.464 HG13 ' CD2' ' A' ' 46' ' ' LEU . 16.5 mt -53.45 -44.86 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -58.43 -22.92 55.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 83.4 t -89.83 -51.14 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.463 ' HG ' ' CB ' ' A' ' 60' ' ' ALA . 6.2 mt -52.17 -36.44 51.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.6 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.335 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -51.43 -66.69 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.454 ' CE2' ' CG2' ' A' ' 43' ' ' VAL . 60.9 t80 -56.62 -37.55 70.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.093 . . . . 0.0 111.009 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -56.95 -57.48 12.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 110.333 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.97 -42.72 65.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.251 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.406 ' HB3' ' CG2' ' A' ' 68' ' ' VAL . 60.1 mttt -61.73 -53.1 60.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.454 ' CG2' ' CE2' ' A' ' 39' ' ' PHE . 11.5 t -45.89 -48.02 5.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 mtpp -61.21 -52.5 64.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.401 ' O ' ' CD1' ' A' ' 49' ' ' ILE . 1.6 mm-40 -49.44 -39.53 33.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' ILE . 8.8 mt -62.37 -62.66 1.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.102 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.406 HD12 ' CB ' ' A' ' 54' ' ' GLN . 12.5 mt -46.69 -30.37 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.68 -37.21 27.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' LEU . 9.6 mt -79.64 -72.22 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.457 HG23 ' CB ' ' A' ' 75' ' ' LEU . 0.6 OUTLIER -56.4 -83.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.395 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 133.83 -9.11 4.88 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -65.56 -170.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -85.76 160.23 19.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.406 ' CB ' HD12 ' A' ' 47' ' ' ILE . 46.8 tt0 -57.79 -61.71 2.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.21 -48.14 2.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.237 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.71 -52.56 62.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.4 m -54.9 -47.71 73.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 108.325 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.5 t -56.01 -49.1 77.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.6 mt -56.93 -50.19 76.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.87 -63.81 1.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.7 tp -43.22 -59.36 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.599 1.187 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -54.71 -61.75 2.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.601 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.46 -48.9 2.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 1.2 m -59.68 -64.46 0.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 108.308 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 3.5 m-20 156.49 -25.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 135.46 44.19 0.1 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.15 111.22 11.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 0.783 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.408 HG11 ' CD1' ' A' ' 49' ' ' ILE . 17.2 t -54.34 -39.93 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -61.58 -61.58 2.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.03 -49.25 51.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -52.83 -55.81 20.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 19.5 mt -45.0 -52.18 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.09 -36.36 13.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 71' ' ' ALA . 48.2 t -82.06 -53.09 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.457 ' CB ' HG23 ' A' ' 50' ' ' THR . 14.7 mt -49.02 -57.78 5.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 42.2 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -53.66 -66.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.43 1.081 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.653 ' CE1' ' CG2' ' A' ' 43' ' ' VAL . 63.8 t80 -54.8 -41.23 70.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -52.45 -58.76 5.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.91 -36.19 59.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -66.74 -55.01 16.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.653 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 71.9 t -45.63 -52.17 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -56.48 -50.74 70.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.62 -39.21 49.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 50' ' ' THR . 10.3 mt -63.05 -63.08 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.465 ' CD1' ' HA ' ' A' ' 54' ' ' GLN . 12.5 mt -48.0 -27.67 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.39 -36.52 24.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' LEU . 10.9 mt -82.24 -72.2 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -57.76 -84.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 137.83 -10.88 3.67 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.13 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -59.39 -171.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -91.25 154.34 19.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.165 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.465 ' HA ' ' CD1' ' A' ' 47' ' ' ILE . 14.9 tt0 -50.0 -62.52 1.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -41.05 -57.07 2.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -55.75 -53.97 50.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 68.8 m -52.13 -61.78 2.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 108.321 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.446 ' CG2' HG13 ' A' ' 43' ' ' VAL . 64.5 t -41.68 -49.47 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.2 mt -56.86 -50.42 75.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.46 ' CB ' ' HG ' ' A' ' 75' ' ' LEU . . . -56.02 -62.35 1.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.6 tp -45.78 -59.61 2.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' ASP . 24.2 t60 -51.78 -47.66 64.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.635 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' HIS . 9.1 t0 -40.37 -51.53 2.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.546 1.153 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.467 ' SG ' ' CB ' ' A' ' 70' ' ' ARG . 46.3 t -70.45 -65.82 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 108.302 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 2.3 m-20 158.85 -27.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.86 44.54 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.444 ' HB3' ' CG ' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -125.52 95.84 4.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.0 t -44.39 -43.72 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.16 -60.83 3.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.467 ' CB ' ' SG ' ' A' ' 64' ' ' CYS . 19.8 mmt180 -51.6 -48.51 63.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -48.87 -53.32 19.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.414 ' CG2' HD12 ' A' ' 76' ' ' LEU . 12.1 mt -46.43 -53.59 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -48.93 -31.57 7.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 71' ' ' ALA . 50.2 t -83.64 -53.97 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.46 ' HG ' ' CB ' ' A' ' 60' ' ' ALA . 4.6 mt -46.66 -57.81 4.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.414 HD12 ' CG2' ' A' ' 72' ' ' ILE . 19.9 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -56.49 -67.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.528 ' CE2' ' CG2' ' A' ' 43' ' ' VAL . 65.2 t80 -55.82 -40.53 72.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -53.86 -58.2 8.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.83 -37.16 50.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.415 ' HB3' ' CG2' ' A' ' 68' ' ' VAL . 51.8 mttt -67.94 -57.91 5.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.528 ' CG2' ' CE2' ' A' ' 39' ' ' PHE . 71.4 t -42.13 -45.74 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -63.98 -55.87 19.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.244 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.51 -38.38 9.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 50' ' ' THR . 10.7 mt -62.33 -61.74 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.43 HD11 ' CB ' ' A' ' 54' ' ' GLN . 27.9 mt -47.85 -27.77 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.44 -35.91 22.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 46' ' ' LEU . 11.6 mt -81.72 -72.16 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.471 HG23 ' CB ' ' A' ' 75' ' ' LEU . 0.6 OUTLIER -56.86 -83.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.389 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 136.01 -11.09 4.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -61.63 -170.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -89.33 156.74 18.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.43 ' CB ' HD11 ' A' ' 47' ' ' ILE . 26.5 tt0 -53.44 -61.75 2.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -40.04 -53.16 2.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.21 -54.06 49.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 65.0 m -54.71 -50.93 67.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 108.322 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 78.5 t -51.62 -31.57 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 19.7 mt -80.66 -53.28 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.25 -52.79 50.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.496 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . 7.5 tp -53.32 -61.51 2.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -50.79 -57.81 7.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.591 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -41.4 -52.03 3.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.467 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 1.1 m -58.9 -66.26 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 108.328 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 1.0 OUTLIER 159.2 -27.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.58 44.95 0.08 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.558 1.161 . . . . 0.0 111.055 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.17 110.71 10.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 0.778 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.415 ' CG2' ' HB3' ' A' ' 42' ' ' LYS . 2.9 t -52.23 -40.56 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -62.87 -62.16 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -49.07 -47.61 44.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.09 -53.33 54.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.401 HG13 ' CD2' ' A' ' 46' ' ' LEU . 8.1 mt -47.03 -54.54 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -46.54 -29.74 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.8 t -88.45 -52.43 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.471 ' CB ' HG23 ' A' ' 50' ' ' THR . 10.2 mt -49.61 -54.08 20.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 62.1 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -45.88 -59.55 2.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.589 ' CE2' ' CG2' ' A' ' 43' ' ' VAL . 74.2 t80 -56.99 -40.86 77.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -55.17 -57.5 11.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 110.236 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.89 -33.07 55.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -71.72 -58.63 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.589 ' CG2' ' CE2' ' A' ' 39' ' ' PHE . 4.6 t -42.8 -54.43 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -53.88 -50.48 66.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 49' ' ' ILE . 1.2 mm-40 -49.64 -41.37 42.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' THR . 15.5 mt -62.1 -60.07 4.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.6 mt -48.97 -24.83 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.83 -33.8 17.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 46' ' ' LEU . 11.8 mt -83.97 -71.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.172 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -58.06 -83.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 132.61 -7.19 5.25 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -65.85 -169.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -86.63 152.8 22.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 55' ' ' ASP . 24.2 tt0 -54.92 -60.0 3.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' GLN . 23.8 m-20 -39.86 -57.39 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -57.46 -51.81 67.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 98.1 m -51.36 -49.35 61.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.416 HG12 ' CE2' ' A' ' 39' ' ' PHE . 97.5 t -54.5 -46.69 71.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 45.6 mt -53.85 -54.6 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.61 -62.05 2.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 65' ' ' ASN . 12.9 tp -47.56 -64.03 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -47.21 -50.81 20.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.613 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -56.27 -47.36 78.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 38.6 m -67.9 -19.87 65.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 108.293 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 16.7 t30 82.03 62.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 59.77 41.17 97.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.417 ' N ' HD11 ' A' ' 61' ' ' LEU . 0.7 OUTLIER -113.49 107.91 16.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.467 ' O ' ' CD1' ' A' ' 72' ' ' ILE . 2.9 t -75.15 -37.09 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -67.04 -66.52 0.55 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -48.47 -44.56 35.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.41 ' CB ' ' O ' ' A' ' 67' ' ' ASP . . . -55.72 -48.45 75.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.467 ' CD1' ' O ' ' A' ' 68' ' ' VAL . 8.8 mt -54.53 -32.87 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.29 -34.2 63.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.0 t -77.44 -56.59 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.0 mt -47.53 -52.57 17.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 42.0 mt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -96.3 61.77 2.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 0.736 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 p -156.09 -50.65 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 109.949 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.76 -64.54 1.2 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 51.37 94.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.767 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -148.77 88.32 1.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.74 -128.72 1.25 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.55 1.156 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -137.65 -58.98 0.68 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 109.267 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -175.06 129.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -93.26 97.1 10.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -152.71 130.37 11.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.0 p -103.45 125.99 50.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.383 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.5 98.91 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 110.246 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -167.51 -47.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.614 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.58 145.55 47.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -99.17 168.93 9.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.359 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 63.19 149.23 0.1 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -171.45 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.529 1.805 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 55.91 53.25 9.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.265 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.07 38.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -139.16 -75.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.415 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.38 -50.9 5.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -43.9 -58.83 2.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -39.0 -62.0 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.247 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 30.6 mt -41.54 -51.43 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.85 -38.17 85.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.288 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.3 mt -56.48 -63.2 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.411 ' CB ' ' OD1' ' A' ' 55' ' ' ASP . . . -55.08 -34.49 63.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -67.93 -33.02 73.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 19.8 mtm -84.94 -41.05 16.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.547 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 3.5 mt -67.55 -26.8 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.359 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.4 t -56.06 -49.73 72.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.0 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -47.92 -55.63 9.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.547 ' CD2' ' HA ' ' A' ' 31' ' ' ILE . 12.7 p80 -92.37 100.37 12.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.601 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -147.81 168.21 22.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -148.4 163.81 36.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.39 -41.65 98.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -53.71 -65.75 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.535 ' CE1' HG23 ' A' ' 43' ' ' VAL . 55.2 t80 -53.29 -43.56 67.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.973 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -52.83 -57.86 8.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.86 -40.43 56.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -64.22 -53.03 55.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.346 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.535 HG23 ' CE1' ' A' ' 39' ' ' PHE . 4.8 t -44.8 -54.48 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.5 mtpp -54.75 -41.89 70.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.499 ' O ' ' CD1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -59.69 -36.66 76.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.347 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.467 ' CD2' HG13 ' A' ' 72' ' ' ILE . 19.5 mt -64.97 -45.98 83.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 51' ' ' GLY . 12.7 mt -62.47 -56.41 17.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.19 -43.33 64.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 45' ' ' GLN . 20.9 mt -69.14 -70.11 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.482 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 30.3 p -80.52 -69.74 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.407 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.482 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 106.62 27.51 5.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -84.41 165.38 18.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -44.86 118.93 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.413 ' CB ' HD13 ' A' ' 47' ' ' ILE . 8.9 tt0 -39.02 -60.13 0.9 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.411 ' OD1' ' CB ' ' A' ' 28' ' ' ALA . 61.0 m-20 -42.5 -51.63 4.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -57.69 -44.04 85.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.301 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.9 m -58.89 -43.53 90.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 108.299 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.439 HG13 ' CE1' ' A' ' 39' ' ' PHE . 56.0 t -61.94 -39.61 84.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 11.0 mt -70.83 -53.53 21.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.5 -58.93 4.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.456 ' HB2' ' CD1' ' A' ' 46' ' ' LEU . 9.1 tp -46.46 -58.7 3.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -54.31 -58.1 8.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.615 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.42 -48.15 2.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 0.8 OUTLIER -61.92 -62.47 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 108.296 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 5.9 m-20 156.4 -25.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 133.74 43.89 0.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.69 112.57 13.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.1 t -51.91 -45.21 39.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -60.67 -62.7 1.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -46.68 -43.87 18.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -59.92 -57.03 14.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.467 HG13 ' CD2' ' A' ' 46' ' ' LEU . 11.1 mt -45.96 -45.42 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.1 -37.51 61.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 71' ' ' ALA . 49.9 t -83.07 -52.36 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.2 mt -48.01 -56.57 7.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 41.8 mt -41.52 -56.89 2.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -124.06 -92.97 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 124.45 -167.3 16.8 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -60.12 133.53 90.26 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 66.05 6.05 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.448 1.762 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 46.92 70.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.1 t -97.29 143.11 28.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.352 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -69.03 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.572 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 t -143.36 123.04 13.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -169.36 127.27 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 108.009 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 64.16 153.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 60.69 148.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 68.5 t -86.88 127.77 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -96.33 96.69 1.95 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -142.18 156.8 45.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -111.05 148.46 32.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -151.1 167.68 26.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 166.09 155.38 8.76 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.3 p -103.75 -27.13 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.3 t -163.89 -65.22 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.027 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -168.27 -128.08 0.97 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 0.0 110.963 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -65.61 146.0 55.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 99' ' ' SER . 1.6 ptmm? -68.93 113.72 6.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 98' ' ' LYS . 3.1 t 83.97 145.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.032 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 142.76 -85.18 0.19 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.151 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 88.97 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.557 1.819 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.0 p -124.4 -64.78 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.97 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.6 m -157.26 150.85 24.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.035 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 t -94.34 -58.58 2.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 110.017 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.85 111.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.046 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.26 -150.68 44.16 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.487 1.117 . . . . 0.0 110.943 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.8 p -45.49 164.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 0.783 . . . . 0.0 110.039 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 m -110.21 170.37 8.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.962 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.94 -73.2 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.3 p30 -79.84 -175.37 4.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 0.721 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -126.07 50.95 1.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 67.43 154.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.83 -60.31 1.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.241 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.5 m -61.81 -64.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.57 131.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.347 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -110.67 155.88 21.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.606 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 mttp -70.94 -63.06 1.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.05 169.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -78.69 118.91 75.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 179.65 5.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 62.43 70.12 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 22' ' ' ALA . . . 176.58 -178.78 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.7 m 62.03 -81.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.413 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 20' ' ' ALA . . . -84.46 -38.22 20.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -58.56 -58.25 9.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -42.06 -54.44 3.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 92.1 mt -43.43 -65.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 30' ' ' MET . 12.5 mtt180 -54.53 -44.47 72.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 30' ' ' MET . 10.3 mt -52.72 -66.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.27 -30.26 7.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -76.07 -33.16 59.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' LEU . 1.4 mmm -81.99 -41.26 20.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.8 mt -60.14 -59.94 3.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.44 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 58.1 p -40.8 -52.11 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.041 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.16 -52.62 64.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -91.19 92.45 8.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.626 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 32' ' ' SER . 25.4 p30 -157.08 172.44 18.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -117.47 173.45 6.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.2 93.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -52.1 -62.61 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -53.13 -40.37 64.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -57.06 -56.8 17.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.49 -39.82 64.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.42 ' HB3' ' CG2' ' A' ' 68' ' ' VAL . 31.4 mttt -61.3 -54.3 45.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.463 HG12 ' CG2' ' A' ' 58' ' ' VAL . 24.7 t -42.2 -57.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -53.33 -46.73 69.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.474 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -52.18 -40.62 61.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.465 HD12 ' CB ' ' A' ' 71' ' ' ALA . 12.4 mt -63.46 -44.9 93.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.415 HD13 ' CB ' ' A' ' 54' ' ' GLN . 13.0 mt -62.94 -56.05 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.21 -38.97 71.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.474 ' CG1' ' O ' ' A' ' 45' ' ' GLN . 48.5 mt -69.2 -69.69 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.484 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 32.1 p -85.23 -69.2 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.422 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.484 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 109.84 22.23 6.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.572 1.17 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -75.73 176.57 7.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 0.0 109.342 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -56.32 118.06 4.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.415 ' CB ' HD13 ' A' ' 47' ' ' ILE . 35.7 tt0 -38.84 -59.33 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.58 -49.79 13.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -59.7 -47.36 85.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 74.5 m -58.82 -51.23 70.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 108.321 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.463 ' CG2' HG12 ' A' ' 43' ' ' VAL . 79.3 t -58.02 -35.76 53.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.7 mt -71.79 -62.99 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -49.59 -46.82 49.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 67' ' ' ASP . 8.5 tp -47.18 -66.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -60.73 -54.55 43.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.609 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -40.04 -46.14 2.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -68.59 -70.32 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 108.306 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.0 t30 174.5 40.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 56.58 16.74 17.34 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.536 1.147 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.504 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -100.61 134.31 43.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 0.802 . . . . 0.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.42 ' CG2' ' HB3' ' A' ' 42' ' ' LYS . 3.6 t -68.54 -36.84 76.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.21 -64.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -43.02 -37.03 1.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.465 ' CB ' HD12 ' A' ' 46' ' ' LEU . . . -65.26 -58.07 6.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.455 ' CG2' HD12 ' A' ' 76' ' ' LEU . 28.2 mt -41.28 -40.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.15 -49.36 69.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 71' ' ' ALA . 55.0 t -78.66 -51.01 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.1 mt -45.48 -60.83 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.455 HD12 ' CG2' ' A' ' 72' ' ' ILE . 42.7 mt -47.1 -61.58 1.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -44.04 -58.31 2.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.292 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.95 96.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.543 1.152 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -121.87 133.62 24.37 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.531 0.783 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 55.87 4.05 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.466 1.772 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.6 t70 64.04 83.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -143.94 74.96 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.371 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -125.7 115.72 20.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.531 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 49.1 m -62.24 100.36 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -47.4 161.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 108.04 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 46.96 74.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.35 101.64 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.4 p -135.29 123.94 40.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 61.83 -105.42 0.92 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.75 132.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt 61.55 95.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.33 147.71 52.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -127.14 -135.2 4.1 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 24.5 t 40.93 85.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 109.251 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.88 87.32 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.0 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -83.69 -67.19 1.46 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -150.83 -59.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 0.774 . . . . 0.0 110.314 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 99' ' ' SER . 0.0 OUTLIER 66.94 98.62 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 98' ' ' LYS . 1.1 t 83.72 -53.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 110.031 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 93.34 157.32 33.3 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.469 1.106 . . . . 0.0 111.049 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 174.67 12.37 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.426 1.75 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.94 166.34 11.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.028 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.37 104.63 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 110.02 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.11 166.49 11.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 0.739 . . . . 0.0 109.995 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 p 178.19 -62.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.99 -148.78 5.15 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.437 1.086 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.91 104.5 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 109.964 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.0 p -148.75 158.16 43.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.985 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.49 -11.45 19.04 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -142.61 65.68 1.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.434 0.726 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.19 126.84 2.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -50.39 138.41 17.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.27 168.63 11.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.94 136.17 54.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 110.355 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -179.95 116.35 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -52.16 -43.16 63.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.598 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -66.01 159.33 26.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -105.56 123.46 47.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -114.43 149.48 42.24 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 143.51 29.23 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.03 178.49 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.463 ' O ' ' CB ' ' A' ' 21' ' ' THR . . . -40.53 158.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.162 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.463 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 2.6 m 80.3 -72.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.35 -38.37 63.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -71.85 -47.87 49.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.21 -51.43 44.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.0 mt -47.36 -48.77 9.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.354 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -69.22 -31.26 69.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 30' ' ' MET . 9.8 mt -67.99 -66.35 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.27 -33.4 8.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -70.04 -33.88 72.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' LEU . 22.9 mtp -82.37 -42.05 19.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 mt -57.24 -55.8 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 t -43.76 -58.42 2.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.977 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.91 -52.03 5.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -95.39 66.58 2.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.576 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -112.08 163.01 14.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -129.51 166.84 18.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.5 -49.31 78.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -47.35 -64.88 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.446 ' CZ ' HG11 ' A' ' 58' ' ' VAL . 63.0 t80 -53.0 -42.8 65.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -55.45 -56.8 16.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.132 . . . . 0.0 110.291 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -40.49 62.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.44 ' HB3' ' CG2' ' A' ' 68' ' ' VAL . 34.0 mttt -60.55 -55.15 36.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.459 HG11 ' CG2' ' A' ' 58' ' ' VAL . 48.6 t -43.33 -55.6 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 109.359 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -53.59 -49.69 67.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -50.45 -41.82 53.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 61' ' ' LEU . 16.5 mt -60.96 -46.11 92.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.426 HD13 ' CB ' ' A' ' 54' ' ' GLN . 13.1 mt -62.58 -50.53 79.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -41.81 93.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 17.6 mt -68.37 -69.84 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.492 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 44.1 p -82.23 -75.19 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.492 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 113.81 26.46 3.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -83.49 169.38 15.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' GLN . 57.8 m-20 -46.66 119.2 2.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.426 ' CB ' HD13 ' A' ' 47' ' ' ILE . 46.6 tt0 -38.76 -59.65 0.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -44.99 -51.31 10.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.23 -44.91 84.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 78.1 m -58.43 -52.38 65.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.291 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.459 ' CG2' HG11 ' A' ' 43' ' ' VAL . 87.9 t -56.49 -32.27 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 23.7 mt -75.98 -65.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.03 -33.22 4.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.501 ' CD1' ' C ' ' A' ' 67' ' ' ASP . 6.7 tp -65.56 -66.34 0.56 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -57.34 -53.53 57.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.559 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -40.6 -47.77 2.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -70.18 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 108.302 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 169.65 41.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.18 12.19 36.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.448 1.092 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.501 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -96.29 131.18 43.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.751 . . . . 0.0 109.297 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.44 ' CG2' ' HB3' ' A' ' 42' ' ' LYS . 3.3 t -71.3 -40.09 73.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.418 1.074 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.73 -59.43 4.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -48.16 -46.47 34.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 110.338 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -59.08 -52.02 67.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.463 HG13 ' CD2' ' A' ' 46' ' ' LEU . 13.4 mt -45.16 -48.34 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -50.54 -37.22 38.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 71' ' ' ALA . 62.0 t -83.49 -52.55 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.353 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.403 ' CD1' HD21 ' A' ' 46' ' ' LEU . 13.6 mt -49.31 -49.93 41.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 77' ' ' GLU . 35.1 mt -56.48 -64.51 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 76' ' ' LEU . 6.4 pt-20 37.44 63.02 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -108.83 63.42 0.28 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.479 1.112 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 82' ' ' THR . 63.3 m-20 62.58 133.43 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -8.96 20.57 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.574 1.828 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -159.08 -46.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 81' ' ' ASP . 0.9 OUTLIER 167.98 -77.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.444 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.454 ' N ' ' CG2' ' A' ' 82' ' ' THR . 0.0 OUTLIER 63.65 -79.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.587 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 82' ' ' THR . 20.7 m -157.73 171.83 19.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.412 ' O ' ' CB ' ' A' ' 86' ' ' GLU . 11.8 p-90 -154.2 172.65 17.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 107.968 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.412 ' CB ' ' O ' ' A' ' 85' ' ' TRP . 0.7 OUTLIER 79.5 132.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.287 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.1 92.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.4 p -153.09 176.47 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 166.27 105.48 0.19 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.86 139.13 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -173.45 132.41 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -172.24 151.75 2.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.34 104.19 0.24 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 28.5 m -138.34 85.22 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 28.2 p -177.65 154.79 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 110.006 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 141.07 139.51 3.7 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.447 1.092 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 178.33 104.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.0 177.7 8.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 68.5 m -111.02 112.92 25.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.989 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 109.34 -84.53 0.37 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 69.21 5.6 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.4 83.67 2.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.0 t -179.76 114.68 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.001 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.94 0 O-C-N 124.546 1.154 . . . . 0.0 111.035 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -111.1 144.13 40.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 109.998 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 m -122.59 169.84 10.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.031 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.37 -157.3 7.1 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 111.039 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.8 p -174.74 149.1 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 110.013 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.1 m -150.33 167.92 25.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.98 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.9 -169.95 28.13 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 110.94 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -42.64 140.0 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -177.4 168.82 2.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.9 m120 61.75 144.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 49.87 71.41 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.8 m -150.88 97.68 2.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.424 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -57.23 127.5 32.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -77.73 -66.53 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.609 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 ptmt 40.71 46.29 2.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.96 169.98 16.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.67 165.59 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.265 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -173.12 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.525 1.802 . . . . 0.0 110.975 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.448 ' CG ' ' HG2' ' A' ' 23' ' ' GLU . 0.7 OUTLIER -123.11 58.07 1.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.82 58.99 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 m -159.41 -71.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.392 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.27 -51.6 4.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.448 ' HG2' ' CG ' ' A' ' 19' ' ' GLN . 1.5 tp10 -44.45 -58.15 3.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.233 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -39.69 -58.99 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 110.349 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 68.7 mt -42.26 -59.0 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -59.86 -41.14 90.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.3 mt -55.24 -65.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.33 -26.87 5.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -78.71 -33.77 46.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.256 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -46.3 14.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.8 mt -57.82 -53.91 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.4 p -44.73 -59.54 2.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.987 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -41.32 -49.88 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -91.85 67.17 5.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.624 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -116.24 172.17 7.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -150.36 155.5 39.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.68 -51.52 12.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -47.71 -65.75 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.449 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 46.4 t80 -52.93 -40.83 63.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -56.73 -56.68 18.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.266 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.71 -36.91 62.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -65.27 -56.35 13.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.434 HG11 ' CG2' ' A' ' 58' ' ' VAL . 30.0 t -43.1 -51.56 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -57.76 -44.31 86.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.499 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 0.4 OUTLIER -55.57 -37.66 68.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.343 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.462 ' CD2' HG13 ' A' ' 72' ' ' ILE . 14.3 mt -65.47 -45.14 84.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 51' ' ' GLY . 13.2 mt -63.54 -57.37 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.31 -41.02 65.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 45' ' ' GLN . 41.0 mt -68.92 -69.68 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 31.3 p -81.88 -69.62 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.471 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 108.13 22.51 7.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.553 1.158 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -77.42 -177.78 4.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 0.753 . . . . 0.0 109.333 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -61.33 118.85 7.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.435 ' CB ' HD13 ' A' ' 47' ' ' ILE . 23.9 tt0 -39.02 -59.99 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -42.42 -48.05 5.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.56 -53.41 52.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 98.9 m -48.35 -46.15 36.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 108.315 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.449 HG13 ' CZ ' ' A' ' 39' ' ' PHE . 71.1 t -62.62 -36.92 77.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.6 mt -67.22 -63.51 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.77 -49.81 14.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.474 ' CD1' ' O ' ' A' ' 67' ' ' ASP . 4.8 tp -49.58 -61.99 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' ASP . 4.1 t60 -58.21 -59.41 5.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.593 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' HIS . 1.3 t0 -40.4 -47.6 2.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 1.4 m -64.17 -69.16 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 108.269 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 7.7 m-20 157.54 45.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.81 14.08 54.11 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.474 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -95.76 133.97 39.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 0.774 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.7 t -78.48 -38.27 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -64.84 -64.53 0.85 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -45.41 -43.6 11.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.48 -55.03 40.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.462 HG13 ' CD2' ' A' ' 46' ' ' LEU . 8.1 mt -47.18 -43.26 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.57 -39.79 68.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.1 t -81.06 -52.82 13.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.8 mt -45.5 -53.56 8.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.8 mt -56.74 -63.62 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.66 -63.35 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 89.36 173.98 46.12 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -173.49 128.61 0.5 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -33.17 4.77 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.519 1.8 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -152.73 -55.65 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m 48.6 95.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.379 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.514 ' CE1' ' HB3' ' A' ' 86' ' ' GLU . 2.8 p80 -134.93 139.94 45.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.626 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.1 t -143.8 74.94 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.013 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -171.78 -49.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 108.016 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.514 ' HB3' ' CE1' ' A' ' 83' ' ' HIS . 0.6 OUTLIER -58.25 112.44 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 42.26 85.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.3 p -124.53 -47.48 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -73.61 60.55 2.02 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.62 73.99 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt 42.29 64.88 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.97 134.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -156.57 78.66 0.19 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 68.9 t 56.09 79.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.3 t -50.91 -58.29 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.026 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 97.07 107.74 2.5 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.7 146.53 7.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 0.739 . . . . 0.0 110.272 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -130.62 108.9 10.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 90.2 p -171.02 168.64 6.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.98 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -124.94 96.52 0.51 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 164.02 34.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.495 1.787 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 27.8 p -131.34 124.41 30.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.029 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.0 t -108.77 136.78 47.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.006 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 t -78.65 89.2 4.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.995 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -153.07 114.41 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.004 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.41 153.37 16.86 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.1 p -137.47 129.73 29.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 0.729 . . . . 0.0 109.985 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -107.2 123.6 48.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.964 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.05 -99.86 1.58 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -154.67 -51.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.792 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -141.06 -60.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -162.19 135.73 6.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -172.89 78.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.8 p -87.99 99.08 11.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 110.431 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -50.89 172.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -156.36 94.64 1.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.635 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 58.85 86.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.487 ' O ' ' CB ' ' A' ' 17' ' ' ARG . 5.6 mm-40 -85.87 -172.84 4.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.487 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 0.5 OUTLIER 82.95 121.09 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.329 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 124.22 8.48 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.498 1.789 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -146.11 17.95 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.18 26.05 2.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -123.19 -74.7 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.46 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.73 -50.51 5.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.52 -53.21 15.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.43 -59.71 1.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 67.3 mt -41.1 -54.87 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -64.28 -43.39 94.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.3 mt -52.48 -62.02 1.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.95 -31.08 38.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -73.58 -34.51 65.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 55.9 mtp -81.53 -41.89 20.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 111.037 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.2 mt -58.25 -46.63 88.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.5 t -52.78 -52.0 58.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.002 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.19 -44.1 52.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -99.28 71.27 1.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.59 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -124.94 173.61 8.53 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -158.1 163.98 37.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.88 -51.19 31.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -47.33 -62.47 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -57.54 -41.19 80.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -56.97 -56.29 23.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.75 -35.48 68.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -64.83 -53.21 50.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.463 HG11 ' CG2' ' A' ' 58' ' ' VAL . 50.4 t -42.77 -57.98 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -52.41 -48.79 65.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.458 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -49.74 -40.87 42.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 110.289 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.471 HD13 ' CB ' ' A' ' 71' ' ' ALA . 13.3 mt -63.81 -44.64 92.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 51' ' ' GLY . 12.1 mt -61.98 -58.5 7.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.23 -42.08 66.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.458 ' CG1' ' O ' ' A' ' 45' ' ' GLN . 27.2 mt -64.38 -69.69 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.487 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 32.8 p -86.52 -69.59 0.66 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.406 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.487 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 111.94 24.08 5.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -78.55 167.36 21.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -48.54 119.13 2.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.427 ' CB ' HD13 ' A' ' 47' ' ' ILE . 50.8 tt0 -38.75 -55.95 1.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -46.69 -49.29 19.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.36 -48.5 81.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.267 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 59.2 m -56.92 -54.27 48.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 108.343 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.463 ' CG2' HG11 ' A' ' 43' ' ' VAL . 79.3 t -52.89 -31.96 17.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' ALA . 26.5 mt -77.64 -70.32 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' ILE . . . -40.03 -47.24 2.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 67' ' ' ASP . 5.8 tp -46.98 -66.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 63' ' ' ASP . 4.7 t60 -62.6 -52.39 63.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 109.589 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' HIS . 0.7 OUTLIER -40.15 -45.73 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -70.67 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 108.284 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.6 t30 176.68 38.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.421 ' C ' ' CD1' ' A' ' 61' ' ' LEU . . . 58.87 14.84 25.14 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 111.029 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.497 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -99.24 140.97 32.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.76 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.1 t -73.87 -45.56 49.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -61.55 -61.85 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -45.94 -38.09 7.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.246 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.471 ' CB ' HD13 ' A' ' 46' ' ' LEU . . . -66.13 -55.51 16.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.454 HG13 ' CD2' ' A' ' 46' ' ' LEU . 9.7 mt -46.18 -35.19 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.49 -41.34 94.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 71' ' ' ALA . 59.7 t -83.86 -50.91 14.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.6 mt -45.03 -54.12 6.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.7 mt -65.66 -60.7 2.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 41.26 33.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -105.49 68.26 0.25 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -98.92 145.23 29.61 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -57.84 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.473 1.775 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -162.42 77.41 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -56.31 144.39 30.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.376 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -62.46 -68.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.588 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.56 167.59 18.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.985 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -126.25 160.02 31.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 108.046 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.94 170.59 13.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -96.26 49.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 74.5 t -47.5 -52.81 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -172.08 85.05 0.08 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.85 140.42 53.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.764 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -154.37 175.42 13.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.89 -71.15 0.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 127.46 130.94 3.41 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.1 p -171.32 143.67 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.447 0.734 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.95 149.34 47.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.37 103.48 0.35 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.138 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.42 151.53 2.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.32 86.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.2 t -54.86 -65.25 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.007 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -103.42 157.31 17.67 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -60.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.529 1.805 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.3 p -104.37 143.69 32.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.6 m -152.38 161.68 42.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.99 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 m -128.22 103.13 7.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.0 p -135.91 140.76 44.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.989 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.29 -167.43 12.33 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.37 -58.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 0.795 . . . . 0.0 110.025 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.1 p -132.43 130.52 40.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.4 -98.27 0.04 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -172.08 163.74 6.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 0.767 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 57.56 76.28 0.33 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -91.63 -55.23 3.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 47.02 75.21 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.2 p -54.71 124.07 15.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.403 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 62.95 124.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -52.64 -63.53 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.637 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.71 -65.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 58.59 94.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -46.77 142.01 5.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -177.84 3.74 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 39.08 72.04 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.67 -48.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.354 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.2 p -74.74 -164.18 0.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.08 -32.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.72 -54.53 32.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -41.54 -59.58 1.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.0 mt -41.14 -59.26 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -60.71 -44.46 96.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 30' ' ' MET . 10.3 mt -53.29 -62.9 1.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.6 -34.91 12.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -72.52 -32.52 66.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.43 ' N ' ' O ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -81.86 -40.26 22.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.995 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.2 mt -60.05 -41.09 85.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.3 t -52.85 -52.65 56.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.34 -43.01 22.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -111.2 73.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.595 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -115.67 165.25 13.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.49 157.0 45.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.9 -33.58 64.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -52.27 -71.69 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.575 ' CE2' HG21 ' A' ' 43' ' ' VAL . 71.1 t80 -55.15 -48.96 72.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 111.039 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.97 -61.84 1.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.9 -47.14 32.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.458 ' HB3' ' CG2' ' A' ' 68' ' ' VAL . 17.0 mttt -54.71 -52.84 61.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.575 HG21 ' CE2' ' A' ' 39' ' ' PHE . 39.0 t -47.25 -56.89 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -52.91 -47.92 67.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.492 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 2.0 mm-40 -50.91 -38.89 52.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.466 ' CD2' HG13 ' A' ' 72' ' ' ILE . 12.8 mt -65.91 -47.3 75.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.445 HD12 ' CB ' ' A' ' 54' ' ' GLN . 18.8 mt -63.26 -48.15 88.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.31 -40.02 96.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 45' ' ' GLN . 44.0 mt -70.59 -69.9 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.48 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 33.5 p -85.92 -70.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.372 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.48 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 108.66 25.89 5.54 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -77.22 173.15 12.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.751 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -46.59 115.68 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.445 ' CB ' HD12 ' A' ' 47' ' ' ILE . 26.7 tt0 -38.47 -58.04 1.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.26 -60.76 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 60' ' ' ALA . 17.7 mm-40 -45.12 -45.34 11.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 66.5 m -56.77 -55.55 32.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 108.336 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.431 HG12 ' CE2' ' A' ' 39' ' ' PHE . 41.7 t -51.28 -46.58 33.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.5 mt -64.82 -71.13 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 56' ' ' GLU . . . -40.47 -48.69 2.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 66' ' ' GLY . 8.8 tp -46.44 -65.3 0.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.148 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' ASP . 5.0 t60 -62.29 -53.83 49.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.599 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' HIS . 1.4 t0 -39.63 -52.22 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -62.84 -69.43 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 108.305 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 t30 171.07 41.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . 55.8 17.53 15.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.095 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.97 124.43 46.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 42' ' ' LYS . 3.1 t -61.8 -37.37 77.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -68.24 -65.17 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.4 ' O ' ' SG ' ' A' ' 64' ' ' CYS . 7.4 mmt180 -44.94 -38.19 4.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -62.51 -54.42 40.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.47 HG22 ' CD1' ' A' ' 76' ' ' LEU . 7.3 mt -41.17 -47.77 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -49.04 -46.64 44.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 71' ' ' ALA . 46.9 t -77.18 -52.79 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.419 ' CD1' HD12 ' A' ' 46' ' ' LEU . 9.1 mt -47.36 -65.07 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.47 ' CD1' HG22 ' A' ' 72' ' ' ILE . 31.5 mt -43.99 -66.06 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 52.68 73.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.03 162.21 29.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 29.4 m120 62.51 138.48 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -45.85 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -175.17 83.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.2 t -112.07 -50.05 2.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.42 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -132.73 173.27 11.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.56 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.6 t -178.17 169.88 1.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.011 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -143.47 146.84 33.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 108.037 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -71.05 127.1 31.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.5 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 0.1 OUTLIER -47.35 -36.02 8.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 87' ' ' MET . 45.6 t -158.59 -66.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 136.75 -110.13 0.77 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.18 -63.75 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.2 178.77 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.69 173.22 11.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.71 175.37 54.97 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.5 t -138.22 -57.1 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.576 0.809 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 69.6 p -174.68 169.71 3.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -127.41 -156.04 8.99 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.48 1.113 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -131.98 152.4 51.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 0.744 . . . . 0.0 110.255 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.19 144.92 39.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.32 152.33 4.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.011 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -161.62 96.16 0.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -179.8 5.33 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.529 1.805 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.7 t -95.86 -66.12 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.041 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 28.1 t -132.23 155.5 48.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.05 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -50.41 -52.94 33.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 0.742 . . . . 0.0 110.011 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 m -136.57 -59.8 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.984 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.88 -64.94 0.35 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 m 60.84 92.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.9 165.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.38 -143.93 7.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -91.41 149.97 21.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.751 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 65.17 134.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -162.71 170.67 18.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 73.01 -58.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.0 m -69.43 -61.67 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.421 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.37 169.35 11.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -106.85 -48.07 3.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.552 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -177.77 -45.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.85 103.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -134.36 156.87 78.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -77.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.526 1.803 . . . . 0.0 111.038 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.487 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 0.2 OUTLIER 67.6 144.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 19' ' ' GLN . . . 83.54 -51.56 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.6 m -64.73 -102.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.454 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.69 -49.39 66.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.47 ' CB ' ' HA ' ' A' ' 19' ' ' GLN . 2.3 tp10 -39.43 -58.72 1.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.415 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -53.79 -52.34 60.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.7 mt -44.45 -53.03 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 30' ' ' MET . 2.2 mtt180 -65.33 -43.1 92.04 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.8 mt -56.67 -50.96 70.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.55 -37.29 86.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -68.61 -33.37 73.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.323 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' ARG . 6.7 mtm -83.45 -42.99 16.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.5 mt -51.56 -51.46 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.3 t -45.91 -51.66 12.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.0 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -42.66 75.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -109.64 88.51 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.587 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.446 ' ND2' ' CG ' ' A' ' 39' ' ' PHE . 34.1 t-20 -162.92 -69.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 169.05 177.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.09 -36.08 27.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -48.9 -60.78 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.446 ' CG ' ' ND2' ' A' ' 35' ' ' ASN . 55.6 t80 -52.4 -41.67 63.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -55.99 -56.81 16.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.69 -40.58 63.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.335 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.467 ' HB3' ' CG2' ' A' ' 68' ' ' VAL . 27.1 mttt -60.33 -54.57 44.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.464 ' CG2' HG23 ' A' ' 58' ' ' VAL . 42.4 t -44.57 -54.57 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -54.4 -47.34 72.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.421 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 1.0 OUTLIER -52.27 -39.23 60.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.458 ' CD2' HG13 ' A' ' 72' ' ' ILE . 12.8 mt -64.43 -45.08 89.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.426 HD12 ' CB ' ' A' ' 54' ' ' GLN . 26.8 mt -64.94 -41.38 91.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.82 -36.01 72.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.421 ' CG1' ' O ' ' A' ' 45' ' ' GLN . 47.4 mt -75.58 -69.93 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.494 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 37.1 p -80.49 -73.49 0.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.359 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.494 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 111.35 27.25 4.25 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -84.22 175.48 9.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.76 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -54.06 119.31 4.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.426 ' CB ' HD12 ' A' ' 47' ' ' ILE . 42.5 tt0 -38.71 -60.58 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -44.31 -50.97 8.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -59.24 -45.93 89.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 110.339 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 87.8 m -55.62 -52.26 64.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 108.317 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.464 HG23 ' CG2' ' A' ' 43' ' ' VAL . 77.7 t -58.19 -34.72 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.411 HG12 ' NE2' ' A' ' 24' ' ' GLN . 52.6 mt -66.43 -58.52 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.62 -49.13 71.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.422 HD11 ' N ' ' A' ' 67' ' ' ASP . 5.5 tp -48.55 -61.77 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -59.96 -55.02 39.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.584 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -40.77 -52.44 2.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 0.5 OUTLIER -65.24 -69.56 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 108.333 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 2.8 m-20 155.66 69.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 65' ' ' ASN . . . 37.34 31.02 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.463 ' CB ' ' HG3' ' A' ' 70' ' ' ARG . 0.2 OUTLIER -111.64 110.75 21.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' A' ' 42' ' ' LYS . 3.1 t -59.38 -39.69 79.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -65.19 -61.78 1.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.463 ' HG3' ' CB ' ' A' ' 67' ' ' ASP . 13.1 mmt180 -48.74 -41.15 31.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -58.78 -51.06 71.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.458 HG13 ' CD2' ' A' ' 46' ' ' LEU . 10.1 mt -51.76 -37.71 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.87 -24.5 67.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.401 ' CG2' ' SG ' ' A' ' 64' ' ' CYS . 57.9 t -95.34 -51.1 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.9 mt -49.08 -50.46 36.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.4 mt -60.62 -64.42 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.138 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 41.32 42.62 1.85 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 110.262 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.7 -118.07 4.14 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.44 1.088 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -127.16 148.16 64.84 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.456 0.739 . . . . 0.0 109.307 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -58.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -145.03 22.13 1.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.4 m 63.84 80.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 0.0 110.405 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 83' ' ' HIS . 1.1 p80 -65.35 107.01 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.61 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 49.9 m 39.8 78.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.956 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER 61.78 158.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 108.037 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -87.17 128.16 35.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.34 137.0 16.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.8 p -91.55 140.98 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -73.89 -179.49 39.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.8 -64.18 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 109.264 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -75.78 68.48 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.87 123.78 26.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 143.62 175.23 16.53 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.2 p -71.97 150.04 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.444 0.732 . . . . 0.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.9 t -81.06 -58.78 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.993 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 147.51 -157.97 27.56 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -179.55 154.71 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 0.725 . . . . 0.0 110.331 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 65.77 139.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.06 150.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.038 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -154.71 71.9 0.27 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -54.57 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.53 1.805 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.9 t -40.97 132.97 2.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.01 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 21.1 t -128.44 109.71 11.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 m 63.64 105.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 0.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -164.31 130.54 3.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.99 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.16 70.3 0.16 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.38 139.69 24.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 0.8 . . . . 0.0 110.005 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.15 87.9 7.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.22 -142.79 14.18 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.119 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -126.9 91.26 3.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 0.754 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 50.3 98.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -79.12 97.45 6.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -172.12 82.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.128 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.2 m -96.61 111.16 23.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.388 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -96.91 126.67 42.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.347 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -132.2 90.4 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.632 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt 68.71 77.39 0.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -40.45 133.8 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.36 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -107.98 155.01 40.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.348 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -168.0 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.802 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.463 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 1.6 tt0 50.79 91.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.589 1.181 . . . . 0.0 110.331 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 19' ' ' GLN . . . 165.48 -33.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.412 HG23 ' N ' ' A' ' 22' ' ' ALA . 18.4 m -80.78 -97.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.132 . . . . 0.0 110.329 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.412 ' N ' HG23 ' A' ' 21' ' ' THR . . . -69.34 -35.5 75.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -52.82 -56.78 13.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -43.35 -57.42 3.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 25.2 mt -43.2 -55.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 30' ' ' MET . 0.0 OUTLIER -63.03 -41.57 99.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.289 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.2 mt -53.27 -62.31 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.19 -27.73 23.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -77.81 -33.53 52.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.405 ' N ' ' O ' ' A' ' 26' ' ' ARG . 30.0 mtt -83.82 -39.93 19.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 mt -55.59 -60.38 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.8 t -41.04 -58.9 1.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 109.968 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.7 -58.9 4.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -45.6 -57.72 3.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.594 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -46.95 169.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.73 -177.91 3.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.4 -44.74 80.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -42.7 -59.09 2.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.68 ' CE2' ' CG2' ' A' ' 43' ' ' VAL . 69.4 t80 -58.28 -43.54 88.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -51.23 -58.66 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.39 -30.68 41.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.6 mttt -73.47 -51.1 18.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.68 ' CG2' ' CE2' ' A' ' 39' ' ' PHE . 73.7 t -46.97 -52.89 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.246 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -56.1 -41.66 75.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.472 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -57.33 -37.23 72.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.471 ' CD2' HG13 ' A' ' 72' ' ' ILE . 14.0 mt -64.15 -43.17 96.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.465 HD13 ' CB ' ' A' ' 54' ' ' GLN . 12.6 mt -62.76 -59.56 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.12 -41.25 64.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.472 ' CG1' ' O ' ' A' ' 45' ' ' GLN . 35.0 mt -64.96 -69.67 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.486 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 32.0 p -86.3 -69.43 0.67 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.486 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 112.41 24.06 5.2 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -78.6 -178.32 5.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.77 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -61.83 119.45 8.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.465 ' CB ' HD13 ' A' ' 47' ' ' ILE . 21.0 tt0 -39.67 -58.11 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -46.96 -54.69 9.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -53.06 -43.39 66.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 110.331 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.5 m -57.63 -53.26 60.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 108.296 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.426 HG13 ' CZ ' ' A' ' 39' ' ' PHE . 69.5 t -50.96 -44.97 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.9 mt -56.91 -63.25 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.5 -64.17 0.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.444 ' HB2' ' CD1' ' A' ' 46' ' ' LEU . 15.8 tp -45.27 -60.62 2.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -49.1 -52.18 27.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.593 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -55.49 -50.44 69.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 36.4 m -62.87 -20.14 64.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 108.317 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 48.2 t30 81.84 59.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.27 39.09 95.79 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.433 ' CB ' ' HB3' ' A' ' 64' ' ' CYS . 0.5 OUTLIER -110.53 102.43 11.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 0.726 . . . . 0.0 109.263 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.5 t -68.44 -31.84 52.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -74.04 -66.6 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.94 -37.48 14.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.4 -46.46 88.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.272 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.471 HG13 ' CD2' ' A' ' 46' ' ' LEU . 12.7 mt -54.85 -42.33 62.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.93 -40.26 88.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.5 t -74.4 -56.07 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.3 mt -49.81 -57.98 6.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.458 HD11 ' CG2' ' A' ' 72' ' ' ILE . 75.0 mt -43.92 -52.04 7.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.58 -60.23 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 64.53 -105.22 1.08 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.463 1.102 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -51.93 132.33 39.14 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 109.338 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 50.51 2.56 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 170.35 39.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.0 67.76 5.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.406 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -92.61 166.49 12.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.56 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 83.2 p -116.43 172.33 7.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -176.49 167.9 2.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 108.036 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -102.56 153.29 20.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.45 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 6.0 ttt 78.52 115.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.958 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 14.6 p -133.97 -48.4 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.29 133.07 7.17 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.0 pttp -127.14 150.4 49.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.7 175.27 2.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 68.2 165.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 160.8 56.83 0.02 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.469 1.105 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 24.2 t -130.28 -63.31 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.443 0.731 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.0 t 69.18 109.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 173.35 -161.45 32.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.545 1.153 . . . . 0.0 111.03 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -145.09 -63.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt 45.64 92.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.9 m 178.94 -58.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.002 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 68.99 157.29 1.23 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 74.96 3.86 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.532 1.806 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.55 101.55 0.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 28.8 t -93.0 100.36 12.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.003 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 t -89.21 146.08 24.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.788 . . . . 0.0 109.981 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 m -122.61 -58.56 1.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.003 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.36 115.12 0.37 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.23 90.71 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.996 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -178.05 85.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.92 -151.21 22.73 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.533 1.145 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -164.98 122.67 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -143.05 -58.67 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -46.57 147.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -178.07 -55.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -71.51 -63.33 1.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.379 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 62.93 155.79 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.581 ' CE1' ' OG ' ' A' ' 84' ' ' SER . 2.8 t-160 67.99 99.58 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.583 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.0 140.94 42.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -46.53 98.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.334 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.41 146.8 18.69 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.89 136.81 21.15 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 111.038 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.3 tm0? -169.8 143.95 2.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 54.0 -175.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.9 m 61.83 -83.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 0.0 110.408 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.25 -52.91 7.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -45.94 -54.16 8.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -42.85 -59.66 1.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 57.8 mt -45.24 -47.24 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.8 -34.55 75.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 30' ' ' MET . 17.7 mt -63.77 -64.27 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.41 -32.01 10.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -68.32 -33.71 74.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 27' ' ' LEU . 19.7 mtt -83.84 -40.78 18.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.3 mt -59.71 -56.49 16.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.32 -51.55 8.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.974 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.62 -52.38 8.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -95.5 62.68 2.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.601 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -102.56 166.6 10.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.485 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 1.1 m-20 -140.88 164.93 28.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.75 -44.46 66.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -51.44 -66.58 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.432 ' CE2' ' CG2' ' A' ' 43' ' ' VAL . 68.7 t80 -55.72 -39.22 70.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' A' ' 36' ' ' ASP . 8.7 mm-40 -55.02 -57.91 9.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.19 -29.41 45.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.4 ' HD3' ' CG2' ' A' ' 68' ' ' VAL . 17.0 mttm -73.35 -52.29 14.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.433 HG13 ' CG2' ' A' ' 58' ' ' VAL . 75.7 t -44.31 -48.48 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -60.48 -50.67 72.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.48 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -49.88 -39.11 38.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.264 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.468 ' CD2' HG13 ' A' ' 72' ' ' ILE . 19.9 mt -61.55 -42.09 98.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 109.241 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' GLY . 14.3 mt -64.49 -59.99 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.94 -38.98 65.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.48 ' CG1' ' O ' ' A' ' 45' ' ' GLN . 46.8 mt -67.08 -69.56 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.47 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 31.6 p -84.44 -69.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.374 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.47 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 112.2 23.26 5.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 111.045 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -79.46 179.89 7.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -61.92 120.99 11.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.426 ' CB ' HD13 ' A' ' 47' ' ' ILE . 14.4 tt0 -38.91 -60.19 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.35 -58.05 2.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -48.47 -45.29 36.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 85.0 m -56.7 -52.55 64.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 108.325 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.433 ' CG2' HG13 ' A' ' 43' ' ' VAL . 79.9 t -52.49 -42.89 40.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.7 mt -63.45 -55.34 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.88 -66.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 65' ' ' ASN . 15.6 tp -44.25 -59.38 2.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -49.55 -48.36 48.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.607 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -60.29 -48.71 80.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 39.2 m -69.91 -9.05 53.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 108.262 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 61' ' ' LEU . 1.9 m-20 66.99 76.55 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 48.51 47.83 28.77 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.419 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 0.4 OUTLIER -119.47 93.66 4.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.743 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.4 ' CG2' ' HD3' ' A' ' 42' ' ' LYS . 3.0 t -63.42 -37.47 79.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -66.95 -66.45 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.24 -41.25 49.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 67' ' ' ASP . . . -59.65 -46.92 87.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.468 HG13 ' CD2' ' A' ' 46' ' ' LEU . 13.4 mt -52.92 -41.63 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.27 -38.91 91.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.6 t -74.27 -56.69 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.6 mt -49.9 -54.54 18.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.9 mt -40.49 -63.68 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.76 33.57 1.03 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 42.23 -103.58 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -121.54 145.8 43.67 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.348 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -39.97 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.486 1.782 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -172.3 81.73 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.2 t -53.26 -46.38 69.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.352 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -41.83 134.58 2.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.621 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.581 ' OG ' ' CE1' ' A' ' 14' ' ' HIS . 16.4 m -45.4 163.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.008 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.31 161.67 15.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 108.035 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.68 82.19 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 3.8 ttt -140.98 106.44 5.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 69.5 t -102.0 94.84 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.24 -179.32 34.9 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.45 125.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 0.768 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.38 -65.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.35 113.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -88.14 -140.94 7.23 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.557 1.161 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 6.3 p -152.58 123.46 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.767 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 59.9 p -126.54 148.53 49.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.026 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -63.97 116.54 9.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.471 1.107 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.12 101.79 1.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 110.341 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -113.45 120.69 41.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.76 155.77 39.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.995 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 177.46 96.09 0.1 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 89.46 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.509 1.794 . . . . 0.0 111.048 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.08 162.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.977 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.3 m -163.79 100.08 0.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 O-C-N 124.515 1.135 . . . . 0.0 110.989 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.57 163.71 19.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 109.967 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.6 p -142.61 151.76 41.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.06 98.95 1.64 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 m -149.65 151.65 34.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 110.028 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 p -174.97 134.44 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.957 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.79 160.36 20.27 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.45 108.57 11.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -176.79 85.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -48.13 99.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.98 166.95 21.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.8 m -51.02 101.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.414 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -101.41 120.13 39.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -61.33 113.33 2.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.616 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -110.94 157.35 19.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -137.78 -60.33 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 17' ' ' ARG . 17.4 ttm105 -61.34 136.73 94.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 110.337 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 155.75 43.07 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -139.82 -64.77 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.25 50.39 1.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.427 ' CG2' ' N ' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -133.07 -78.72 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.41 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.427 ' N ' ' CG2' ' A' ' 21' ' ' THR . . . -86.18 -38.35 17.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -49.23 -52.8 24.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -45.93 -53.34 10.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.1 mt -50.33 -43.44 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.21 -23.27 59.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.2 mt -78.05 -42.36 32.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.6 -43.44 84.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -68.22 -16.89 64.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.6 mtt -94.11 -44.63 7.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.412 HG22 ' CG1' ' A' ' 58' ' ' VAL . 5.0 mt -62.58 -54.69 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 t -48.86 -46.94 43.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.38 -54.13 4.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -66.94 -68.84 0.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.607 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.67 102.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.15 154.65 24.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.8 -59.85 3.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -42.16 -61.45 1.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.703 ' CE1' ' CG2' ' A' ' 43' ' ' VAL . 53.7 t80 -56.2 -46.08 79.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -50.05 -58.33 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.55 -34.9 59.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -69.66 -49.05 57.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 0.0 109.331 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.703 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 93.7 t -46.71 -51.11 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.8 mtpp -58.26 -51.52 69.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.456 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 0.4 OUTLIER -48.33 -37.23 16.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.469 ' CD2' HG13 ' A' ' 72' ' ' ILE . 18.4 mt -66.14 -46.19 78.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.444 HD12 ' CB ' ' A' ' 54' ' ' GLN . 26.2 mt -64.8 -40.68 89.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.53 -37.13 74.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.459 HG22 ' CD1' ' A' ' 72' ' ' ILE . 41.1 mt -74.76 -69.9 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.497 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 41.7 p -79.88 -74.94 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.394 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.497 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 112.9 26.58 4.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -82.02 179.4 7.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 0.774 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -58.55 119.44 7.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.444 ' CB ' HD12 ' A' ' 47' ' ' ILE . 31.0 tt0 -38.83 -57.03 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -45.43 -62.45 1.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -49.02 -42.51 38.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.333 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 85.3 m -59.43 -44.94 92.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.088 . . . . 0.0 108.303 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.412 ' CG1' HG22 ' A' ' 31' ' ' ILE . 98.3 t -60.17 -53.16 52.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.7 mp -55.56 -55.8 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.82 -66.39 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.448 ' CD1' ' C ' ' A' ' 67' ' ' ASP . 13.1 tp -41.34 -57.78 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -53.04 -49.4 66.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.593 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -57.46 -50.7 72.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.351 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 73.5 m -65.15 -16.31 63.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 108.354 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 11.3 t-20 81.49 74.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 44.57 41.22 6.78 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.448 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 1.3 t70 -115.7 108.67 16.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.7 t -74.51 -38.61 46.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -63.93 -66.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -49.98 -34.51 21.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 110.342 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -64.98 -58.23 6.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.469 HG13 ' CD2' ' A' ' 46' ' ' LEU . 11.6 mt -40.27 -38.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -63.86 -51.76 63.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' ALA . 39.7 t -66.93 -56.36 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.6 mt -46.18 -58.29 3.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.3 mt -47.34 -61.66 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -120.99 -80.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 172.67 -149.06 11.07 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -94.39 123.43 58.6 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 109.346 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 66.35 6.05 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 44.92 85.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 m -111.9 -62.93 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.379 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -47.75 138.62 8.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 109.601 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.8 p -89.75 118.99 29.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.003 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 19.5 m95 -154.08 160.07 41.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 108.014 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 61.72 167.07 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -146.86 -168.11 2.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.8 p -59.23 120.6 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.142 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 171.62 71.06 0.04 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.49 174.98 5.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 65.21 80.89 0.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -168.6 69.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -149.48 -115.94 0.79 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.8 t -79.76 100.34 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 t -168.85 -58.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.941 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 162.38 57.52 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -179.82 122.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -41.37 141.51 0.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.1 p -71.23 113.86 8.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.999 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 86.85 157.27 30.39 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.467 1.105 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 141.07 26.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.18 160.44 14.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.94 -62.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -161.57 -58.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 109.954 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.41 81.46 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.978 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.81 -160.5 8.54 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 m 61.48 101.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 0.796 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 t -92.22 101.47 13.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.988 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.82 149.79 11.95 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -114.79 -55.78 2.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 0.795 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.34 137.53 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -84.38 144.18 28.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.16 156.35 17.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.9 p -72.61 175.41 6.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.425 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -65.93 -61.01 2.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 68.43 133.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.614 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.12 -53.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.44 -71.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 56.73 108.42 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -16.53 20.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.796 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -95.31 51.93 1.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.245 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.22 -48.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 22' ' ' ALA . 62.6 p -60.18 -163.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 110.439 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 21' ' ' THR . . . -40.55 -32.53 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -50.57 -52.81 35.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.35 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.404 ' CD ' ' C ' ' A' ' 24' ' ' GLN . 0.7 OUTLIER -49.63 -61.76 1.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.118 . . . . 0.0 110.321 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.3 mt -51.31 -45.8 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -21.81 66.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.492 ' O ' ' CD1' ' A' ' 31' ' ' ILE . 11.1 mt -82.92 -37.51 24.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.47 -42.17 68.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -65.87 -20.8 66.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.18 -46.62 7.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 27' ' ' LEU . 7.9 mt -59.0 -59.41 3.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.8 p -42.2 -59.92 1.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.991 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -55.78 -58.75 6.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -78.32 89.42 4.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.573 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 1.7 t-20 -174.5 -66.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 35' ' ' ASN . 1.1 m-20 158.29 171.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.36 -34.07 63.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -49.2 -66.99 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CE1' ' CG2' ' A' ' 43' ' ' VAL . 39.5 t80 -50.49 -42.43 54.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -51.73 -58.67 5.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.6 -35.46 54.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -66.53 -52.44 45.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.567 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 76.6 t -44.37 -51.27 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -58.22 -44.69 88.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.37 -38.88 72.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.459 ' CD2' HG13 ' A' ' 72' ' ' ILE . 37.5 mt -61.64 -45.48 93.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.459 HD13 ' CB ' ' A' ' 54' ' ' GLN . 13.4 mt -62.02 -57.7 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.1 -43.59 63.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.464 HG23 ' CD1' ' A' ' 72' ' ' ILE . 23.1 mt -67.46 -69.89 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.49 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 31.1 p -82.81 -69.85 0.6 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.145 . . . . 0.0 110.454 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.49 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 109.2 19.54 8.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -75.44 164.53 26.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -43.76 119.2 1.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.459 ' CB ' HD13 ' A' ' 47' ' ' ILE . 15.4 tt0 -38.98 -54.54 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.48 -57.18 5.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -49.84 -50.8 44.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.247 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 71.2 m -49.73 -49.27 48.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 108.318 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.442 ' CG2' HG11 ' A' ' 43' ' ' VAL . 92.6 t -57.1 -55.3 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.0 mt -54.29 -48.56 67.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.7 -60.69 3.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . 12.1 tp -46.11 -60.99 1.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -53.74 -56.26 18.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.652 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -41.52 -53.32 3.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.41 -68.5 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 108.315 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 t30 168.79 -35.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.34 44.8 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.558 1.161 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.43 108.33 9.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 0.788 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.429 HG12 ' CD1' ' A' ' 72' ' ' ILE . 22.3 t -47.53 -44.14 9.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -58.95 -59.64 5.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -53.4 -48.27 68.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.89 -49.27 71.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.464 ' CD1' HG23 ' A' ' 49' ' ' ILE . 9.3 mt -51.25 -48.69 32.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.76 -37.58 42.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.0 t -80.43 -53.79 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.7 mt -49.18 -58.22 5.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 53.9 mt -46.1 -62.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 42.33 81.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -81.04 51.53 4.36 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.8 m-80 -113.7 136.09 22.0 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.439 0.729 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 63.98 6.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.5 1.79 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.7 t70 43.34 79.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.3 p -121.68 179.79 4.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.417 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -47.91 160.37 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.619 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -150.14 179.07 8.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -121.54 148.77 44.05 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -173.41 150.96 1.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -166.41 119.56 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 42.6 t -147.04 146.14 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -59.13 -152.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -138.99 113.16 8.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.333 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.7 mmtm -115.82 146.41 42.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -93.6 125.1 38.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -140.53 -104.72 0.58 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.7 t 60.72 113.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.555 0.797 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 60.1 p -165.37 167.41 17.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.964 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -168.44 117.55 0.73 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -86.33 -62.3 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 110.28 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.6 99.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.7 t -175.44 155.92 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.028 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 164.17 163.3 16.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 169.72 22.01 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.504 1.792 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.04 158.63 16.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.023 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.0 m -126.15 116.05 20.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.133 . . . . 0.0 110.981 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.73 80.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 0.746 . . . . 0.0 110.045 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.4 162.91 40.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.026 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.13 -168.7 12.81 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 m 66.62 107.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -169.67 171.41 7.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.95 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.45 171.42 29.59 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.44 ' HB2' ' CG2' ' A' ' 82' ' ' THR . 35.9 m120 61.35 160.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.402 ' O ' ' CG ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -178.27 66.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -145.4 90.87 2.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -176.9 157.61 1.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 61.8 p -117.38 108.09 15.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.375 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -58.38 130.71 48.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -147.17 106.35 3.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.62 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -159.97 -68.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -134.71 110.32 9.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 60.71 109.49 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 158.02 42.52 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.518 1.799 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.449 ' O ' ' CG ' ' A' ' 19' ' ' GLN . 3.0 pt20 -162.03 67.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 174.92 -38.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.4 m -73.24 -91.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.378 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.02 -53.38 10.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.96 -56.62 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -43.09 -61.15 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.4 mt -42.23 -49.47 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -39.09 86.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.3 mt -58.54 -62.6 1.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.18 -24.01 38.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -78.4 -34.01 48.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -83.57 -40.29 19.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.42 HG21 ' CG1' ' A' ' 58' ' ' VAL . 3.3 mt -57.91 -43.37 84.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.257 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.2 t -49.71 -58.31 5.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.985 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -42.84 -48.57 5.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -106.53 57.67 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.589 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -54.96 -46.55 75.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.4 t0 60.19 153.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.95 -48.29 9.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -49.36 -55.48 12.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.346 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.563 ' CE1' HG23 ' A' ' 43' ' ' VAL . 47.5 t80 -60.7 -44.18 96.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -52.88 -57.62 9.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -36.72 44.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.448 ' HB3' ' CG2' ' A' ' 68' ' ' VAL . 35.7 mttp -66.75 -55.77 13.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.563 HG23 ' CE1' ' A' ' 39' ' ' PHE . 36.0 t -41.28 -52.7 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -56.66 -45.79 81.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.488 ' O ' ' CD1' ' A' ' 49' ' ' ILE . 0.5 OUTLIER -55.79 -37.14 68.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.442 ' CD1' ' HB2' ' A' ' 61' ' ' LEU . 48.4 mt -63.91 -45.33 89.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.469 HD11 ' CB ' ' A' ' 54' ' ' GLN . 14.3 mt -61.76 -57.6 11.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.24 -45.12 61.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 45' ' ' GLN . 14.0 mt -67.02 -70.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.494 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 30.9 p -82.73 -70.07 0.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.494 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 110.13 17.61 9.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -72.81 161.61 30.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.783 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -42.66 119.72 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.469 ' CB ' HD11 ' A' ' 47' ' ' ILE . 30.8 tt0 -39.25 -53.42 1.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.255 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -50.18 -50.64 48.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -55.32 -47.6 75.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 62.6 m -53.0 -49.47 66.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 108.273 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.42 ' CG1' HG21 ' A' ' 31' ' ' ILE . 69.4 t -55.74 -49.4 74.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.9 mt -59.8 -51.68 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.18 -62.25 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.442 ' HB2' ' CD1' ' A' ' 46' ' ' LEU . 11.4 tp -43.38 -56.74 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -57.08 -51.84 67.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.58 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -40.13 -42.1 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.414 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -79.56 -61.35 2.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 108.28 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.414 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.7 OUTLIER 162.29 -48.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.5 43.48 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.25 98.47 5.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.448 ' CG2' ' HB3' ' A' ' 42' ' ' LYS . 3.6 t -44.24 -46.29 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -57.3 -60.67 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -53.53 -48.97 68.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.39 -49.9 63.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.461 ' CD1' HG23 ' A' ' 49' ' ' ILE . 8.8 mt -48.93 -50.62 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -53.32 -35.15 59.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.9 t -78.11 -55.79 9.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.4 mt -47.74 -58.97 3.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 76.5 mt -44.64 -64.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -46.67 -67.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.267 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 88.13 -75.93 2.0 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -123.16 147.5 52.03 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.433 0.725 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -40.64 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.438 1.757 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -163.86 72.55 0.26 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.44 ' CG2' ' HB2' ' A' ' 8' ' ' ASN . 10.2 t -78.7 106.35 10.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.353 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -80.41 61.38 4.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.604 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.41 154.28 35.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -125.83 137.27 53.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 108.008 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -130.0 173.4 10.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.12 128.29 4.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 111.051 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 65.8 t -137.32 149.6 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 169.52 -124.57 1.17 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 62.11 155.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.02 133.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -134.42 166.12 23.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -68.01 -143.51 0.1 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.8 p -135.5 163.69 34.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 0.763 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.7 m -90.37 171.33 9.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -172.18 136.35 3.77 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -152.38 169.69 21.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 0.756 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.08 174.82 9.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 54.5 p -111.18 125.82 54.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 65.34 157.23 0.31 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 170.32 20.67 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.771 . . . . 0.0 111.038 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.71 -61.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.975 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.35 -56.25 4.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.035 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t 63.68 157.48 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 0.753 . . . . 0.0 110.016 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -127.7 99.26 5.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.045 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.41 -117.46 1.44 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.5 p 49.31 94.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 0.76 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -155.58 -71.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.04 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.28 -169.44 22.22 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -124.82 115.89 21.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -147.63 -50.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.333 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 58.74 -156.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 74.97 145.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.35 153.86 42.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.39 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.4 tm0? -107.26 -75.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -176.74 150.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.562 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.36 125.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -78.89 65.43 4.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.529 ' CZ ' ' ND2' ' A' ' 79' ' ' ASN . 4.8 ttt85 63.03 139.76 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 17' ' ' ARG . 18.3 Cg_endo -74.98 165.01 32.23 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.435 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 1.3 tt0 81.43 -54.7 0.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.44 58.67 1.02 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.3 p -143.58 -141.91 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.42 -29.21 33.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -67.57 -47.23 70.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -60.27 -49.31 78.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.262 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.6 mt -51.35 -37.45 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.54 -42.4 22.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.6 mt -60.96 -53.93 51.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.43 -28.25 63.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -78.68 -33.16 47.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.5 mtm -81.54 -41.45 21.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.6 mt -60.43 -49.89 82.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.8 m -50.08 -60.47 2.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.968 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -44.71 -48.25 10.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -97.05 60.06 1.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.567 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -87.63 141.17 28.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.17 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -123.78 159.5 29.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.55 -57.73 11.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -42.21 -65.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.441 ' CZ ' HG11 ' A' ' 58' ' ' VAL . 56.1 t80 -53.4 -42.91 67.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -54.24 -57.5 10.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -50.46 -38.65 44.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.289 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.468 ' CG ' HG22 ' A' ' 68' ' ' VAL . 29.2 mttm -62.1 -58.32 8.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.466 HG12 ' CG2' ' A' ' 58' ' ' VAL . 54.9 t -40.44 -55.82 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -53.61 -47.81 69.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -40.57 61.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.352 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.465 ' CD2' HG13 ' A' ' 72' ' ' ILE . 21.1 mt -64.57 -52.41 57.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.44 HD12 ' CB ' ' A' ' 54' ' ' GLN . 17.3 mt -58.4 -35.76 55.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.53 -48.19 56.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.4 mt -68.83 -70.34 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 43.8 p -74.38 -80.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.521 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 114.8 29.39 2.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt -86.64 175.98 8.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -56.08 119.65 6.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.44 ' CB ' HD12 ' A' ' 47' ' ' ILE . 34.2 tt0 -38.97 -55.2 1.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -45.77 -50.87 13.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.35 -52.97 61.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 56.3 m -51.63 -49.83 61.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 108.283 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.466 ' CG2' HG12 ' A' ' 43' ' ' VAL . 73.3 t -59.57 -46.83 92.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 15.9 mt -59.2 -57.29 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.68 -52.72 59.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 67' ' ' ASP . 17.6 tp -41.61 -56.94 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -67.88 -52.67 33.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.645 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -41.33 -51.92 3.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -64.3 -71.16 0.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 108.277 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 67' ' ' ASP . 23.6 t30 168.73 60.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 37.73 30.55 0.07 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.426 1.079 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' ASN . 0.1 OUTLIER -114.5 125.14 53.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 0.747 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.468 HG22 ' CG ' ' A' ' 42' ' ' LYS . 4.5 t -63.84 -44.13 98.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -62.17 -63.27 1.3 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -46.55 -38.58 9.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -63.12 -58.59 6.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.466 ' CG2' HD12 ' A' ' 76' ' ' LEU . 7.5 mt -39.81 -43.64 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.82 -51.99 52.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 71' ' ' ALA . 60.1 t -74.39 -52.72 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.46 ' CD1' HD21 ' A' ' 46' ' ' LEU . 5.1 mt -42.49 -55.22 3.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.466 HD12 ' CG2' ' A' ' 72' ' ' ILE . 36.3 mt -46.33 -64.09 0.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -118.13 -95.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 165.72 -118.31 0.8 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.094 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.529 ' ND2' ' CZ ' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -138.41 131.56 16.31 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.477 0.751 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 81' ' ' ASP . 18.3 Cg_endo -74.98 63.03 5.95 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 80' ' ' PRO . 0.3 OUTLIER 82.09 -52.94 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.1 t 39.02 41.58 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 110.377 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -132.83 174.48 10.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 109.641 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.1 t -120.6 -151.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -116.56 147.77 41.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 107.987 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -96.58 -96.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.8 72.19 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 1.8 p -111.81 150.86 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -71.11 69.9 0.81 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -46.85 141.12 4.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 0.776 . . . . 0.0 109.347 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -142.25 66.79 1.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.12 172.11 14.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -146.74 -106.51 0.47 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.13 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.0 t -142.69 102.29 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 0.738 . . . . 0.0 109.286 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 m -157.77 145.3 18.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -142.96 -153.95 6.01 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.501 1.125 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -140.76 120.96 13.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.42 109.91 16.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.4 p -146.59 163.48 35.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 112.86 94.96 2.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.146 . . . . 0.0 111.04 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 58.61 4.95 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.484 1.781 . . . . 0.0 110.997 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.6 t 50.19 84.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.977 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.0 m -80.66 133.8 35.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.974 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 179.963 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.1 p -95.86 106.87 19.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 110.021 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -58.76 -58.38 8.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.026 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.65 138.82 10.71 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.5 156.44 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 0.765 . . . . 0.0 109.992 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.53 155.16 44.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.58 125.95 0.15 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.452 1.095 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -156.01 166.82 32.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -112.66 96.92 6.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 57.45 162.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -49.14 -58.61 4.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.8 m -120.61 -61.1 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.414 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -154.07 -59.58 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.265 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -101.98 167.6 9.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 0.0 109.589 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -94.36 124.28 38.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.248 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -66.51 -56.84 8.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -43.09 111.05 0.98 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.347 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 176.48 9.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 58.05 108.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 110.236 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 23' ' ' GLU . . . 178.75 -165.8 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 24' ' ' GLN . 65.5 p 41.57 -136.88 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.36 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.19 -39.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.422 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -58.87 -49.86 76.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 21' ' ' THR . 0.9 OUTLIER -55.74 -57.54 11.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.1 mt -44.85 -45.09 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 30' ' ' MET . 0.7 OUTLIER -72.24 -43.81 63.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.8 mt -52.11 -58.75 5.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.55 -31.31 56.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -75.89 -32.77 59.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 26' ' ' ARG . 3.6 ttp -82.04 -40.11 22.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.6 mt -61.2 -59.89 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 55.3 p -40.26 -56.09 2.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.019 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.91 -48.12 8.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -104.66 78.58 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.594 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -113.99 168.55 9.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -131.9 160.52 35.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.47 -50.1 74.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -47.71 -65.69 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.492 ' CE1' ' CG2' ' A' ' 43' ' ' VAL . 24.4 t80 -55.65 -42.69 75.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -56.21 -56.55 19.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.26 -29.48 58.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.448 ' HB3' ' CG2' ' A' ' 68' ' ' VAL . 72.2 mttt -76.98 -59.24 2.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.492 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 71.9 t -44.81 -41.12 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.478 ' HA ' ' CD1' ' A' ' 47' ' ' ILE . 20.2 tttt -70.17 -38.96 75.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.49 ' O ' ' CD1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -60.19 -32.15 70.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.336 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.464 HD21 ' CD1' ' A' ' 75' ' ' LEU . 10.4 mt -66.4 -34.13 77.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 44' ' ' LYS . 22.0 mt -64.11 -59.79 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.32 -34.86 66.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 45' ' ' GLN . 26.1 mt -71.7 -69.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 29.3 p -78.64 -70.08 0.52 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.504 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 113.69 18.32 7.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -84.01 -178.8 7.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.338 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -66.02 114.69 5.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 57' ' ' CYS . 36.0 tt0 -38.36 -58.83 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.49 -50.57 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.2 -41.87 93.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 54' ' ' GLN . 93.8 m -57.51 -39.0 75.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 108.288 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.471 HG23 ' CG1' ' A' ' 43' ' ' VAL . 65.7 t -63.04 -32.82 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 20.4 mt -75.78 -58.15 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.07 -50.68 63.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.496 ' CD1' ' C ' ' A' ' 67' ' ' ASP . 11.3 tp -53.87 -66.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -49.86 -61.26 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.6 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -41.3 -53.15 3.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 0.8 OUTLIER -55.0 -69.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 108.265 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 7.1 m-20 156.7 45.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.13 16.04 52.14 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.496 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -96.19 121.99 38.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 0.743 . . . . 0.0 109.337 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.448 ' CG2' ' HB3' ' A' ' 42' ' ' LYS . 2.9 t -68.23 -37.43 78.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -67.45 -62.57 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -47.44 -36.36 9.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -60.89 -53.72 53.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.43 HG13 ' CD2' ' A' ' 46' ' ' LEU . 5.2 mt -44.65 -46.64 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.59 -39.69 58.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' ALA . 48.3 t -81.5 -52.57 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.464 ' CD1' HD21 ' A' ' 46' ' ' LEU . 14.6 mt -48.91 -53.93 17.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 77' ' ' GLU . 59.7 mt -56.42 -63.69 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 76' ' ' LEU . 5.9 pt-20 37.45 42.53 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -166.56 77.11 0.13 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.447 1.092 . . . . 0.0 111.029 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -142.22 144.9 33.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 109.327 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -36.59 2.52 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.547 1.814 . . . . 0.0 111.041 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -154.14 -54.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 m 60.15 149.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 110.417 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.21 167.66 15.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.621 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.9 t -108.88 129.1 55.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 6.9 m95 65.34 138.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 107.997 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -167.08 114.32 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.92 120.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.4 p -116.65 155.38 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -116.84 168.76 12.86 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 pttm -167.83 128.98 1.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.11 -63.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.19 140.6 47.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -62.0 165.54 20.47 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.461 1.1 . . . . 0.0 111.045 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.8 p -163.07 154.18 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.8 p -142.47 130.55 21.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.98 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -116.03 176.75 16.64 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -161.73 83.95 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.64 136.73 3.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.7 m -133.14 163.34 29.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 110.017 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -139.51 87.77 0.2 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.565 1.165 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 175.47 11.19 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.67 174.97 11.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.99 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.3 p -153.27 150.17 28.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.044 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.61 97.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 110.017 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.8 p -159.98 139.12 10.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.994 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.78 -140.74 6.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 p -172.38 134.54 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.753 . . . . 0.0 110.003 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t 55.24 92.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 110.004 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.4 88.68 1.7 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 t30 178.76 115.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 0.741 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -128.71 128.27 43.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -97.46 150.07 21.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 52.01 101.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.7 t -93.15 38.98 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.423 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -118.72 165.01 14.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.356 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 75.46 -66.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.631 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.07 -65.41 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.33 164.03 31.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -73.93 146.82 85.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 179.45 6.07 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.71 168.27 11.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 64.08 176.65 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.7 m 65.27 -79.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.391 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.83 -56.7 4.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.46 -56.04 17.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.427 1.079 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -41.16 -58.25 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.3 mt -44.4 -53.65 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -64.67 -32.06 73.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.107 . . . . 0.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.8 mt -68.43 -67.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.33 -22.52 4.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -75.37 -35.4 61.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 44.2 mtm -91.3 -41.25 11.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.446 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 23.6 mt -54.32 -37.0 35.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.3 t -57.29 -65.48 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.989 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -46.02 -38.16 7.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -68.4 -173.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.577 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 31' ' ' ILE . 20.7 m-80 64.15 -173.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -128.65 -166.96 1.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.3 -49.14 72.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.14 -59.6 1.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -56.63 -40.55 75.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -58.8 -55.48 34.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.35 -32.98 70.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.35 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.478 ' HB3' ' CG2' ' A' ' 68' ' ' VAL . 86.6 mttt -69.72 -52.08 28.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.9 t -45.41 -52.96 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.484 ' HA ' ' CD1' ' A' ' 47' ' ' ILE . 6.6 tttt -62.16 -45.53 92.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.502 ' O ' ' CD1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -52.9 -34.52 55.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.266 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.473 ' CD2' HG13 ' A' ' 72' ' ' ILE . 9.9 mt -64.94 -33.97 77.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.484 ' CD1' ' HA ' ' A' ' 44' ' ' LYS . 30.7 mt -64.04 -59.66 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.27 -33.3 67.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 45' ' ' GLN . 24.9 mt -72.57 -70.03 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.502 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 30.1 p -73.79 -70.11 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.371 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.502 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 116.44 14.71 7.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -79.84 -151.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -99.92 126.0 46.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -37.99 -63.94 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.263 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.29 -60.87 0.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -52.24 -43.5 64.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 92.0 m -58.69 -41.9 87.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 108.33 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 59.0 t -60.4 -51.31 74.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.2 mt -56.47 -58.89 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.17 -58.32 6.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.501 ' CD1' ' C ' ' A' ' 67' ' ' ASP . 8.6 tp -41.04 -56.99 2.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.09 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 63' ' ' ASP . 3.6 t60 -62.48 -56.35 18.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.617 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 62' ' ' HIS . 0.3 OUTLIER -39.99 -54.42 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 70' ' ' ARG . 0.2 OUTLIER -57.8 -70.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 108.309 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 167.85 41.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . 60.22 13.87 30.42 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 110.961 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.501 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -97.34 130.99 44.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.744 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 42' ' ' LYS . 3.3 t -69.32 -44.6 80.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -59.55 -59.66 5.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.404 ' O ' ' SG ' ' A' ' 64' ' ' CYS . 32.0 mmt180 -51.87 -35.86 46.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -63.54 -55.26 25.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.473 HG13 ' CD2' ' A' ' 46' ' ' LEU . 5.3 mt -47.76 -30.49 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.01 -39.58 90.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 71' ' ' ALA . 57.6 t -85.59 -50.9 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.2 mt -47.09 -61.21 1.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.458 HD12 ' CG2' ' A' ' 72' ' ' ILE . 51.2 mt -40.63 -59.05 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -109.08 61.44 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -119.19 161.07 14.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.125 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 62.57 133.27 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.752 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 55.74 4.03 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.506 1.792 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 47.13 82.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.494 ' O ' ' CG ' ' A' ' 83' ' ' HIS . 38.9 p -84.44 165.4 18.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.397 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.494 ' CG ' ' O ' ' A' ' 82' ' ' THR . 17.2 p80 47.98 64.88 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.602 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.88 171.92 7.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 110.032 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -171.26 88.39 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 108.017 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.06 128.69 13.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 42.33 87.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.966 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.7 p 41.94 58.47 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -76.09 -96.78 0.15 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.24 168.66 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 0.803 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.08 -65.3 1.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.4 tptt 74.41 -65.61 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 161.26 122.2 0.61 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.42 1.075 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.8 p -75.29 157.57 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.3 t -149.72 157.22 43.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -156.25 -156.7 7.95 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.53 1.144 . . . . 0.0 111.035 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -124.78 137.36 54.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.757 . . . . 0.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.34 152.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.97 154.63 36.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.982 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -63.26 157.29 40.52 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 165.46 31.26 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.542 1.811 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.41 79.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.0 t -171.92 158.54 4.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.118 . . . . 0.0 111.022 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.53 158.49 31.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 109.982 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 m 62.51 144.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.007 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.32 107.74 3.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.482 1.114 . . . . 0.0 110.956 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.5 p 178.32 141.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 109.997 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.69 -58.21 2.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.038 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.36 -98.32 0.23 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.454 1.097 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 57.9 97.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 0.766 . . . . 0.0 109.257 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -156.02 79.57 0.99 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 110.269 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -44.79 123.24 3.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.71 109.32 4.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.3 m -113.33 142.02 46.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.372 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -112.76 -41.44 3.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -160.94 126.05 3.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.618 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -51.17 128.45 21.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -110.47 92.82 4.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 110.335 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.16 148.58 0.75 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 144.63 30.63 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 111.035 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 179.92 175.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.435 ' O ' ' CB ' ' A' ' 23' ' ' GLU . . . 58.91 -157.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.7 p 38.77 -140.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.421 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.34 -29.92 59.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 1.1 tp10 -55.05 -46.74 75.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.239 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.47 -47.41 66.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.2 mt -50.72 -46.18 28.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.35 -34.91 68.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 mt -63.89 -60.24 3.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.52 -18.52 19.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -84.8 -32.45 23.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.254 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -85.19 -39.53 17.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 mt -61.56 -54.1 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.1 t -48.82 -48.99 41.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.02 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -47.4 -34.9 7.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -117.61 78.75 1.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 109.596 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -124.95 175.21 7.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -154.15 149.88 27.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.0 -41.38 34.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -52.09 -65.61 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.683 ' CE1' ' CG2' ' A' ' 43' ' ' VAL . 48.5 t80 -57.15 -42.87 81.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -51.05 -58.88 4.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.94 -39.07 58.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -65.24 -48.71 72.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.683 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 93.9 t -47.55 -51.98 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -57.09 -52.92 63.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -47.53 -40.43 18.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.342 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.464 ' CD2' HG13 ' A' ' 72' ' ' ILE . 18.4 mt -62.78 -60.72 3.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.472 HD13 ' CB ' ' A' ' 54' ' ' GLN . 10.0 mt -48.07 -27.2 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.9 -35.22 20.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.458 HG23 ' CD1' ' A' ' 72' ' ' ILE . 10.3 mt -81.97 -71.93 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.459 HG22 ' CB ' ' A' ' 75' ' ' LEU . 0.5 OUTLIER -57.07 -83.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.422 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 133.85 -9.34 4.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -65.81 -177.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -78.73 156.53 28.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.472 ' CB ' HD13 ' A' ' 47' ' ' ILE . 26.7 tt0 -55.29 -62.61 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.414 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 48.3 m-20 -40.18 -42.69 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -70.83 -48.07 56.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 5.6 m -57.05 -44.65 83.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 108.316 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 88.8 t -59.51 -47.31 91.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.414 ' CD1' ' O ' ' A' ' 55' ' ' ASP . 18.1 mt -59.73 -47.71 90.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.463 ' CB ' ' HG ' ' A' ' 75' ' ' LEU . . . -57.66 -67.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.4 tp -42.65 -57.95 2.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -53.31 -45.36 68.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.565 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -41.76 -51.17 4.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.364 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.435 ' SG ' ' CB ' ' A' ' 70' ' ' ARG . 11.8 t -71.2 -69.43 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 108.306 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.451 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 5.4 p-10 166.88 -31.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 151.94 44.2 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.17 108.9 13.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.0 t -55.58 -37.27 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -68.07 -64.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.435 ' CB ' ' SG ' ' A' ' 64' ' ' CYS . 8.0 mmt-85 -49.94 -45.77 51.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.34 -48.0 71.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.464 HG13 ' CD2' ' A' ' 46' ' ' LEU . 16.5 mt -53.45 -44.86 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -58.43 -22.92 55.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.434 ' CG1' ' HA2' ' A' ' 78' ' ' GLY . 83.4 t -89.83 -51.14 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.463 ' HG ' ' CB ' ' A' ' 60' ' ' ALA . 6.2 mt -52.17 -36.44 51.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.6 mt -80.33 -43.11 21.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -155.53 86.39 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.434 ' HA2' ' CG1' ' A' ' 74' ' ' VAL . . . -46.51 145.34 3.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -57.25 148.7 51.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 -59.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.494 1.787 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -127.68 -47.44 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.8 t 40.92 54.29 3.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.436 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 65.49 153.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.627 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.11 159.17 43.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -97.91 159.22 15.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 108.021 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 65.16 163.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.76 82.92 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 43.2 t -144.32 101.95 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -104.85 -97.48 2.48 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 50.52 64.29 1.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.39 150.65 4.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.46 -64.1 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 44.81 73.46 0.27 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 20.0 m -135.29 136.8 50.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.44 -60.26 1.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.001 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.17 160.86 34.79 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -177.31 145.83 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 0.8 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -162.15 141.76 9.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.32 150.01 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.986 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -174.9 86.09 0.08 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.492 1.12 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 177.02 9.14 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.483 1.781 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.27 169.28 24.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.604 1.19 . . . . 0.0 109.961 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 52.7 p -156.43 167.33 30.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 t -84.45 161.01 20.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 0.0 110.006 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.6 p -166.78 140.6 3.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.987 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.88 167.03 34.41 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.467 1.105 . . . . 0.0 111.062 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 t 66.39 123.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.767 . . . . 0.0 110.024 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.26 129.58 55.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.027 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.22 107.57 0.28 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.534 1.147 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.5 m120 60.95 118.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 0.734 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -105.86 -25.95 11.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -76.96 -55.73 5.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -85.04 118.91 24.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -107.78 112.64 25.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.367 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.67 122.62 24.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 62.51 156.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.625 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.9 mttp 65.21 144.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 75.4 -61.98 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.0 148.66 1.13 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 110.328 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.07 19.02 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.773 . . . . 0.0 111.005 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -160.45 117.1 2.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 22' ' ' ALA . . . 58.32 177.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.1 m 63.59 -80.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.416 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' ALA . . . -81.91 -42.46 19.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -53.27 -57.24 11.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 110.313 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -43.74 -52.77 6.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.2 mt -44.12 -62.19 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 30' ' ' MET . 1.1 mtt-85 -57.27 -43.72 83.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.245 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.3 mt -51.06 -62.75 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.12 -33.53 58.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 109.232 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -70.5 -34.32 72.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.253 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 26' ' ' ARG . 1.4 mtm -82.44 -39.23 22.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.567 HD13 ' CE1' ' A' ' 62' ' ' HIS . 2.7 mt -59.83 -44.11 93.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.39 -54.52 30.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -42.28 -50.06 4.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -71.23 -76.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.578 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 53.66 89.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.485 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 8.3 t0 -83.8 156.82 22.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.15 -48.55 81.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -51.43 -66.69 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.454 ' CE2' ' CG2' ' A' ' 43' ' ' VAL . 60.9 t80 -56.62 -37.55 70.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.093 . . . . 0.0 111.009 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' A' ' 36' ' ' ASP . 4.7 mm-40 -56.95 -57.48 12.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 110.333 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.97 -42.72 65.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.251 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.406 ' HB3' ' CG2' ' A' ' 68' ' ' VAL . 60.1 mttt -61.73 -53.1 60.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.454 ' CG2' ' CE2' ' A' ' 39' ' ' PHE . 11.5 t -45.89 -48.02 5.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 mtpp -61.21 -52.5 64.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.401 ' O ' ' CD1' ' A' ' 49' ' ' ILE . 1.6 mm-40 -49.44 -39.53 33.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' ILE . 8.8 mt -62.37 -62.66 1.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.102 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.406 HD12 ' CB ' ' A' ' 54' ' ' GLN . 12.5 mt -46.69 -30.37 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.68 -37.21 27.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' LEU . 9.6 mt -79.64 -72.22 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.457 HG23 ' CB ' ' A' ' 75' ' ' LEU . 0.6 OUTLIER -56.4 -83.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.395 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 133.83 -9.11 4.88 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -65.56 -170.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -85.76 160.23 19.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.406 ' CB ' HD12 ' A' ' 47' ' ' ILE . 46.8 tt0 -57.79 -61.71 2.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.21 -48.14 2.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.237 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.71 -52.56 62.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.4 m -54.9 -47.71 73.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 108.325 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.5 t -56.01 -49.1 77.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.6 mt -56.93 -50.19 76.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.87 -63.81 1.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.7 tp -43.22 -59.36 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.599 1.187 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.567 ' CE1' HD13 ' A' ' 31' ' ' ILE . 35.9 t60 -54.71 -61.75 2.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.601 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.46 -48.9 2.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 1.2 m -59.68 -64.46 0.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 108.308 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 3.5 m-20 156.49 -25.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 135.46 44.19 0.1 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.15 111.22 11.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 0.783 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.408 HG11 ' CD1' ' A' ' 49' ' ' ILE . 17.2 t -54.34 -39.93 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -61.58 -61.58 2.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.03 -49.25 51.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -52.83 -55.81 20.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 19.5 mt -45.0 -52.18 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.09 -36.36 13.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 71' ' ' ALA . 48.2 t -82.06 -53.09 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.457 ' CB ' HG23 ' A' ' 50' ' ' THR . 14.7 mt -49.02 -57.78 5.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 42.2 mt -42.73 -60.39 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -123.35 -95.59 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 159.54 -113.97 0.59 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.9 p30 165.92 118.26 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.472 0.748 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -40.92 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.5 1.79 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.0 t0 175.54 93.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -147.29 148.06 31.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.355 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 57.99 163.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.563 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.3 93.13 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -148.98 154.15 38.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 107.957 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 61.16 162.03 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -153.02 92.49 1.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.5 p -77.65 113.77 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -147.92 102.72 0.25 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.78 73.83 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -123.07 158.93 29.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -56.01 129.6 40.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.343 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -139.25 -138.96 3.73 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.464 1.102 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 6.6 m 41.1 -160.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.476 0.75 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 50.2 80.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.008 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -179.51 -138.68 3.38 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.11 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -175.09 100.68 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 0.763 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 56.04 77.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.586 1.179 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.48 129.64 54.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.029 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 145.95 -85.55 0.18 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 81.06 2.28 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.465 1.771 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.95 170.61 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.993 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.6 t -74.23 -53.99 8.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.551 1.157 . . . . 0.0 111.016 179.979 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 m -116.06 142.11 47.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.785 . . . . 0.0 109.976 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.3 p -162.06 143.23 10.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.032 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.64 144.97 4.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.137 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.43 89.11 7.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.766 . . . . 0.0 109.986 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.2 p -126.65 137.26 53.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.459 1.099 . . . . 0.0 110.045 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.36 73.13 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -62.02 135.02 57.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.766 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -111.45 93.49 4.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.261 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -93.78 92.38 7.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 39.4 78.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.4 t -164.48 150.88 10.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.373 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -114.49 83.05 1.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -145.12 117.48 8.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.557 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -136.95 -61.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 72.66 -59.75 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 60.06 154.83 0.1 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 147.82 34.43 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -148.26 64.36 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -168.53 178.73 4.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.258 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.8 m 62.58 -86.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.379 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.11 -48.31 10.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -52.89 -55.9 19.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -41.36 -57.73 2.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 74.6 mt -41.21 -57.51 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.27 -40.94 95.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.4 mt -54.58 -64.42 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.45 -30.48 29.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -74.13 -33.68 63.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 38.2 mtp -83.14 -41.15 18.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 mt -60.23 -42.42 90.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.3 t -53.79 -47.77 70.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -58.42 -41.33 84.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.359 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -114.14 71.83 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.597 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -115.67 148.54 39.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.5 166.94 10.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.364 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.44 -34.55 67.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -53.66 -66.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.43 1.081 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.653 ' CE1' ' CG2' ' A' ' 43' ' ' VAL . 63.8 t80 -54.8 -41.23 70.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -52.45 -58.76 5.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.91 -36.19 59.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -66.74 -55.01 16.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.653 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 71.9 t -45.63 -52.17 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -56.48 -50.74 70.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.62 -39.21 49.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 50' ' ' THR . 10.3 mt -63.05 -63.08 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.465 ' CD1' ' HA ' ' A' ' 54' ' ' GLN . 12.5 mt -48.0 -27.67 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.39 -36.52 24.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' LEU . 10.9 mt -82.24 -72.2 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -57.76 -84.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 137.83 -10.88 3.67 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.13 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -59.39 -171.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -91.25 154.34 19.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.165 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.465 ' HA ' ' CD1' ' A' ' 47' ' ' ILE . 14.9 tt0 -50.0 -62.52 1.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -41.05 -57.07 2.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -55.75 -53.97 50.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 68.8 m -52.13 -61.78 2.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 108.321 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.446 ' CG2' HG13 ' A' ' 43' ' ' VAL . 64.5 t -41.68 -49.47 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.2 mt -56.86 -50.42 75.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.46 ' CB ' ' HG ' ' A' ' 75' ' ' LEU . . . -56.02 -62.35 1.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.6 tp -45.78 -59.61 2.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' ASP . 24.2 t60 -51.78 -47.66 64.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.635 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' HIS . 9.1 t0 -40.37 -51.53 2.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.546 1.153 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.467 ' SG ' ' CB ' ' A' ' 70' ' ' ARG . 46.3 t -70.45 -65.82 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 108.302 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 2.3 m-20 158.85 -27.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.86 44.54 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.444 ' HB3' ' CG ' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -125.52 95.84 4.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.0 t -44.39 -43.72 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.16 -60.83 3.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.467 ' CB ' ' SG ' ' A' ' 64' ' ' CYS . 19.8 mmt180 -51.6 -48.51 63.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -48.87 -53.32 19.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.414 ' CG2' HD12 ' A' ' 76' ' ' LEU . 12.1 mt -46.43 -53.59 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -48.93 -31.57 7.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 71' ' ' ALA . 50.2 t -83.64 -53.97 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.46 ' HG ' ' CB ' ' A' ' 60' ' ' ALA . 4.6 mt -46.66 -57.81 4.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.414 HD12 ' CG2' ' A' ' 72' ' ' ILE . 19.9 mt -53.39 -64.62 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.08 -55.21 2.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -37.66 -60.19 1.24 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -161.04 146.01 10.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 109.246 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -39.42 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.412 1.743 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 83' ' ' HIS . 0.6 OUTLIER -158.69 -48.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.417 ' CG2' ' N ' ' A' ' 83' ' ' HIS . 0.9 OUTLIER 62.91 -78.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.438 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 81' ' ' ASP . 3.6 t-80 -124.61 148.0 48.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.623 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.84 166.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.025 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.416 ' CD2' ' OD2' ' A' ' 81' ' ' ASP . 4.1 m95 -137.93 147.11 44.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 107.987 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -117.45 163.59 16.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 6.6 ttt -147.74 140.52 24.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.7 p -113.88 155.81 14.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -87.8 -131.43 3.54 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.76 -66.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.71 162.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -100.64 176.68 5.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -126.66 -152.0 7.95 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.3 p -59.63 161.21 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 109.328 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 86.9 p -177.67 102.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -176.01 179.94 46.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.117 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -173.91 164.17 4.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 0.763 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.86 142.0 5.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.8 p -115.18 170.72 8.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 140.37 85.31 0.1 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -56.55 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.551 1.816 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.2 m 179.64 171.13 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.48 104.93 2.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.97 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.559 1.162 . . . . 0.0 110.975 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.07 128.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 110.036 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.99 94.14 7.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.02 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.37 155.44 23.41 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -175.94 154.34 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 110.03 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.77 149.88 44.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.947 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.82 -141.19 3.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -116.45 162.26 17.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -47.89 157.73 0.26 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.483 1.115 . . . . 0.0 110.326 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -149.98 -51.63 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -53.88 149.65 8.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.2 p -129.99 145.2 51.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.421 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -114.85 124.0 50.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -146.06 -64.97 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.583 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.88 -31.26 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -108.99 140.38 42.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -48.16 106.6 0.62 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 163.11 36.01 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.491 1.785 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.67 103.99 2.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -175.95 -41.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.2 m -63.52 -101.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.409 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.2 -34.04 22.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -47.29 -49.78 23.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -49.03 -58.29 5.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.245 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 38.1 mt -42.12 -52.87 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -64.74 -39.05 92.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.9 mt -59.39 -59.92 4.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.39 -20.36 29.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -84.61 -34.47 23.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 110.343 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.0 mtm -81.44 -42.28 20.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.4 mt -58.72 -30.65 42.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.7 t -70.5 -39.79 73.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.978 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -75.41 -17.15 60.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -128.28 75.73 1.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.608 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -126.0 171.08 11.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -149.68 147.69 28.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.61 -33.61 4.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -56.49 -67.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.528 ' CE2' ' CG2' ' A' ' 43' ' ' VAL . 65.2 t80 -55.82 -40.53 72.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -53.86 -58.2 8.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.83 -37.16 50.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.415 ' HB3' ' CG2' ' A' ' 68' ' ' VAL . 51.8 mttt -67.94 -57.91 5.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.528 ' CG2' ' CE2' ' A' ' 39' ' ' PHE . 71.4 t -42.13 -45.74 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -63.98 -55.87 19.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.244 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.51 -38.38 9.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 50' ' ' THR . 10.7 mt -62.33 -61.74 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.43 HD11 ' CB ' ' A' ' 54' ' ' GLN . 27.9 mt -47.85 -27.77 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.44 -35.91 22.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 46' ' ' LEU . 11.6 mt -81.72 -72.16 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.471 HG23 ' CB ' ' A' ' 75' ' ' LEU . 0.6 OUTLIER -56.86 -83.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.389 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 136.01 -11.09 4.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -61.63 -170.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -89.33 156.74 18.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.43 ' CB ' HD11 ' A' ' 47' ' ' ILE . 26.5 tt0 -53.44 -61.75 2.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -40.04 -53.16 2.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.21 -54.06 49.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 65.0 m -54.71 -50.93 67.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 108.322 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 78.5 t -51.62 -31.57 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 19.7 mt -80.66 -53.28 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.25 -52.79 50.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.496 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . 7.5 tp -53.32 -61.51 2.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -50.79 -57.81 7.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.591 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -41.4 -52.03 3.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.467 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 1.1 m -58.9 -66.26 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 108.328 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 1.0 OUTLIER 159.2 -27.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.58 44.95 0.08 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.558 1.161 . . . . 0.0 111.055 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.17 110.71 10.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 0.778 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.415 ' CG2' ' HB3' ' A' ' 42' ' ' LYS . 2.9 t -52.23 -40.56 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -62.87 -62.16 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -49.07 -47.61 44.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.09 -53.33 54.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.401 HG13 ' CD2' ' A' ' 46' ' ' LEU . 8.1 mt -47.03 -54.54 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -46.54 -29.74 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.8 t -88.45 -52.43 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.471 ' CB ' HG23 ' A' ' 50' ' ' THR . 10.2 mt -49.61 -54.08 20.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 62.1 mt -46.07 -58.83 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -126.43 -89.93 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.454 ' O ' ' CB ' ' A' ' 79' ' ' ASN . . . 155.94 116.52 0.54 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.136 . . . . 0.0 111.038 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.456 ' ND2' ' N ' ' A' ' 82' ' ' THR . 2.3 t30 78.26 138.13 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.767 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.416 ' HD2' ' ND2' ' A' ' 79' ' ' ASN . 18.3 Cg_endo -75.03 -52.12 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.438 1.757 . . . . 0.0 110.99 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -174.44 79.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.456 ' N ' ' ND2' ' A' ' 79' ' ' ASN . 10.7 t -51.69 146.16 8.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.401 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -52.85 -60.9 2.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.606 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 59.7 p -52.22 163.55 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -114.78 103.51 11.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 108.016 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -96.11 119.25 34.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.89 98.98 7.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.2 p -122.21 144.89 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -167.37 103.37 0.2 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 mptt 62.71 176.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.76 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.13 145.25 32.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.53 105.31 17.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -108.42 120.09 5.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.6 p -103.97 138.25 29.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.48 0.753 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 t -158.37 165.67 34.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.999 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.01 -148.63 0.17 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 0.0 110.951 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -86.96 149.8 24.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 110.284 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 65.98 77.1 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.8 m -78.97 165.5 23.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -144.9 157.25 27.25 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 129.1 12.02 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.444 1.76 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 91.4 p -121.31 97.13 5.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.9 m -131.46 103.12 6.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.07 -58.47 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.75 . . . . 0.0 110.017 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 p -177.59 90.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.987 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.32 155.95 0.26 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.143 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.21 141.78 48.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 110.048 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.4 p -135.58 -58.65 0.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.85 139.25 3.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -104.16 167.83 9.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.79 113.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -114.81 -51.1 2.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 74.07 -65.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.1 t 40.84 45.46 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.66 -58.82 1.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.256 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -174.37 -62.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.612 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 mttt 63.19 86.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.4 -61.68 1.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 58.53 162.27 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 173.15 15.0 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.5 1.789 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -132.83 113.68 13.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 175.59 -36.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.252 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.0 p -96.05 -158.83 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.395 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.0 -37.63 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.56 -59.21 3.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -41.16 -55.39 2.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.93 -60.62 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.79 -39.79 82.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.324 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 30' ' ' MET . 10.3 mt -56.18 -66.41 0.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.75 -28.62 3.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -76.07 -34.67 59.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 27' ' ' LEU . 17.1 mtm -83.57 -42.91 16.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.9 mt -56.18 -54.26 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.1 t -44.91 -58.04 3.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.966 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.75 -52.35 32.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -93.48 87.4 5.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.58 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -139.62 154.59 47.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.133 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.38 167.21 11.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.59 -47.18 76.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -45.88 -59.55 2.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.589 ' CE2' ' CG2' ' A' ' 43' ' ' VAL . 74.2 t80 -56.99 -40.86 77.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -55.17 -57.5 11.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 110.236 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.89 -33.07 55.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.5 mttt -71.72 -58.63 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.589 ' CG2' ' CE2' ' A' ' 39' ' ' PHE . 4.6 t -42.8 -54.43 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -53.88 -50.48 66.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 49' ' ' ILE . 1.2 mm-40 -49.64 -41.37 42.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' THR . 15.5 mt -62.1 -60.07 4.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.6 mt -48.97 -24.83 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.83 -33.8 17.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 46' ' ' LEU . 11.8 mt -83.97 -71.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.172 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -58.06 -83.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 132.61 -7.19 5.25 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -65.85 -169.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -86.63 152.8 22.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 55' ' ' ASP . 24.2 tt0 -54.92 -60.0 3.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' GLN . 23.8 m-20 -39.86 -57.39 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -57.46 -51.81 67.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 98.1 m -51.36 -49.35 61.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.416 HG12 ' CE2' ' A' ' 39' ' ' PHE . 97.5 t -54.5 -46.69 71.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 45.6 mt -53.85 -54.6 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.61 -62.05 2.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 65' ' ' ASN . 12.9 tp -47.56 -64.03 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -47.21 -50.81 20.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.613 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -56.27 -47.36 78.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 38.6 m -67.9 -19.87 65.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 108.293 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 16.7 t30 82.03 62.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 59.77 41.17 97.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.417 ' N ' HD11 ' A' ' 61' ' ' LEU . 0.7 OUTLIER -113.49 107.91 16.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.467 ' O ' ' CD1' ' A' ' 72' ' ' ILE . 2.9 t -75.15 -37.09 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -67.04 -66.52 0.55 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -48.47 -44.56 35.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.41 ' CB ' ' O ' ' A' ' 67' ' ' ASP . . . -55.72 -48.45 75.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.467 ' CD1' ' O ' ' A' ' 68' ' ' VAL . 8.8 mt -54.53 -32.87 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.29 -34.2 63.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.0 t -77.44 -56.59 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.0 mt -47.53 -52.57 17.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 42.0 mt -52.61 -65.94 0.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -42.94 -48.61 5.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -37.44 -69.3 0.31 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -74.42 133.33 77.58 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.51 0.771 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -33.43 4.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -173.69 86.32 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 48.2 m -154.77 68.79 0.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.373 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -131.56 60.37 1.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.598 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.9 t 67.26 163.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.96 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -95.61 147.46 23.56 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.39 171.22 12.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.61 114.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 91.2 t -126.08 -63.95 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 134.34 146.15 5.38 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.55 -66.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.74 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.56 172.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? 62.96 111.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 176.45 75.23 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.548 1.155 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 85.4 t 63.71 127.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 109.257 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 80.2 p -85.86 166.48 15.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.53 151.04 27.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -119.75 -60.94 1.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 44.21 78.02 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.45 165.17 24.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 175.59 90.41 0.08 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.561 1.163 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 89.01 1.19 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.499 1.789 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.0 m -66.43 -58.12 5.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.966 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -58.09 9.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.142 . . . . 0.0 109.956 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -53.71 -65.75 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.52 ' CE1' HG21 ' A' ' 43' ' ' VAL . 55.2 t80 -53.29 -43.56 67.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.973 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -52.83 -57.86 8.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.86 -40.43 56.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.478 ' HB3' HG23 ' A' ' 68' ' ' VAL . 33.7 mttt -64.22 -53.03 55.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.526 HG21 HG22 ' A' ' 58' ' ' VAL . 4.8 t -44.8 -54.48 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.5 mtpp -54.75 -41.89 70.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.756 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -59.69 -36.66 76.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.347 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.793 HD21 ' HB3' ' A' ' 71' ' ' ALA . 19.5 mt -64.97 -45.98 83.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 51' ' ' GLY . 12.7 mt -62.47 -56.41 17.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.19 -43.33 64.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.756 HD12 ' O ' ' A' ' 45' ' ' GLN . 20.9 mt -69.14 -70.11 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.482 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 30.3 p -80.52 -69.74 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.407 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.482 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 106.62 27.51 5.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -84.41 165.38 18.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -44.86 118.93 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.417 ' CB ' HD11 ' A' ' 47' ' ' ILE . 8.9 tt0 -39.02 -60.13 0.9 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -42.5 -51.63 4.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.506 ' HA ' HD12 ' A' ' 59' ' ' ILE . 7.7 mm-40 -57.69 -44.04 85.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.9 m -58.89 -43.53 90.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 108.299 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.526 HG22 HG21 ' A' ' 43' ' ' VAL . 56.0 t -61.94 -39.61 84.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 56' ' ' GLU . 11.0 mt -70.83 -53.53 21.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.5 -58.93 4.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.471 HD13 HD11 ' A' ' 46' ' ' LEU . 9.1 tp -46.46 -58.7 3.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -54.31 -58.1 8.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.615 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.42 -48.15 2.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 0.8 OUTLIER -61.92 -62.47 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 108.296 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 5.9 m-20 156.4 -25.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 133.74 43.89 0.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.69 112.57 13.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.478 HG23 ' HB3' ' A' ' 42' ' ' LYS . 4.1 t -51.91 -45.21 39.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -60.67 -62.7 1.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -46.68 -43.87 18.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.793 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -59.92 -57.03 14.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.634 HD11 HD13 ' A' ' 49' ' ' ILE . 11.1 mt -45.96 -45.42 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.1 -37.51 61.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 71' ' ' ALA . 49.9 t -83.07 -52.36 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.667 HD12 HD22 ' A' ' 46' ' ' LEU . 8.2 mt -48.01 -56.57 7.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 41.8 mt . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -52.1 -62.61 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.468 ' CE2' HG13 ' A' ' 58' ' ' VAL . 81.7 t80 -53.13 -40.37 64.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -57.06 -56.8 17.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.49 -39.82 64.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.684 ' HB3' HG23 ' A' ' 68' ' ' VAL . 31.4 mttt -61.3 -54.3 45.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.606 ' CG2' HG22 ' A' ' 58' ' ' VAL . 24.7 t -42.2 -57.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -53.33 -46.73 69.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.474 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -52.18 -40.62 61.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.617 HD22 ' CD1' ' A' ' 75' ' ' LEU . 12.4 mt -63.46 -44.9 93.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.415 HD11 ' CB ' ' A' ' 54' ' ' GLN . 13.0 mt -62.94 -56.05 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.21 -38.97 71.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.474 ' CG1' ' O ' ' A' ' 45' ' ' GLN . 48.5 mt -69.2 -69.69 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.484 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 32.1 p -85.23 -69.2 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.422 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.484 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 109.84 22.23 6.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.572 1.17 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.492 ' HG3' HD22 ' A' ' 75' ' ' LEU . 17.4 mmtt -75.73 176.57 7.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 0.0 109.342 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -56.32 118.06 4.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.415 ' CB ' HD11 ' A' ' 47' ' ' ILE . 35.7 tt0 -38.84 -59.33 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.58 -49.79 13.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -59.7 -47.36 85.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 74.5 m -58.82 -51.23 70.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 108.321 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.606 HG22 ' CG2' ' A' ' 43' ' ' VAL . 79.3 t -58.02 -35.76 53.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.7 mt -71.79 -62.99 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -49.59 -46.82 49.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 67' ' ' ASP . 8.5 tp -47.18 -66.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -60.73 -54.55 43.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.609 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -40.04 -46.14 2.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -68.59 -70.32 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 108.306 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.0 t30 174.5 40.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 56.58 16.74 17.34 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.536 1.147 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.504 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -100.61 134.31 43.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 0.802 . . . . 0.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.684 HG23 ' HB3' ' A' ' 42' ' ' LYS . 3.6 t -68.54 -36.84 76.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.21 -64.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -43.02 -37.03 1.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.472 ' CB ' HD11 ' A' ' 46' ' ' LEU . . . -65.26 -58.07 6.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.496 HG22 HD12 ' A' ' 76' ' ' LEU . 28.2 mt -41.28 -40.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.15 -49.36 69.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 71' ' ' ALA . 55.0 t -78.66 -51.01 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.617 ' CD1' HD22 ' A' ' 46' ' ' LEU . 8.1 mt -45.48 -60.83 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.496 HD12 HG22 ' A' ' 72' ' ' ILE . 42.7 mt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -47.35 -64.88 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.699 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 63.0 t80 -53.0 -42.8 65.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -55.45 -56.8 16.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.132 . . . . 0.0 110.291 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -40.49 62.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.671 ' HB3' HG23 ' A' ' 68' ' ' VAL . 34.0 mttt -60.55 -55.15 36.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.546 ' CG2' HG22 ' A' ' 58' ' ' VAL . 48.6 t -43.33 -55.6 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 109.359 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -53.59 -49.69 67.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.576 ' O ' HD12 ' A' ' 49' ' ' ILE . 1.3 mm-40 -50.45 -41.82 53.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.653 HD22 ' CD1' ' A' ' 75' ' ' LEU . 16.5 mt -60.96 -46.11 92.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.431 HD11 ' CB ' ' A' ' 54' ' ' GLN . 13.1 mt -62.58 -50.53 79.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -41.81 93.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.576 HD12 ' O ' ' A' ' 45' ' ' GLN . 17.6 mt -68.37 -69.84 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.492 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 44.1 p -82.23 -75.19 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.492 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 113.81 26.46 3.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -83.49 169.38 15.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' GLN . 57.8 m-20 -46.66 119.2 2.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.431 ' CB ' HD11 ' A' ' 47' ' ' ILE . 46.6 tt0 -38.76 -59.65 0.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -44.99 -51.31 10.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.433 ' HA ' HD12 ' A' ' 59' ' ' ILE . 6.2 mm-40 -57.23 -44.91 84.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 78.1 m -58.43 -52.38 65.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.291 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.699 HG13 ' CZ ' ' A' ' 39' ' ' PHE . 87.9 t -56.49 -32.27 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 56' ' ' GLU . 23.7 mt -75.98 -65.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.03 -33.22 4.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.549 ' HA ' ' HB2' ' A' ' 71' ' ' ALA . 6.7 tp -65.56 -66.34 0.56 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -57.34 -53.53 57.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.559 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -40.6 -47.77 2.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -70.18 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 108.302 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 169.65 41.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.18 12.19 36.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.448 1.092 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.501 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -96.29 131.18 43.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.751 . . . . 0.0 109.297 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.671 HG23 ' HB3' ' A' ' 42' ' ' LYS . 3.3 t -71.3 -40.09 73.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.418 1.074 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.73 -59.43 4.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -48.16 -46.47 34.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 110.338 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.549 ' HB2' ' HA ' ' A' ' 61' ' ' LEU . . . -59.08 -52.02 67.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.509 HD11 HD13 ' A' ' 49' ' ' ILE . 13.4 mt -45.16 -48.34 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -50.54 -37.22 38.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 71' ' ' ALA . 62.0 t -83.49 -52.55 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.353 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.653 ' CD1' HD22 ' A' ' 46' ' ' LEU . 13.6 mt -49.31 -49.93 41.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 35.1 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -47.71 -65.75 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.718 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 46.4 t80 -52.93 -40.83 63.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -56.73 -56.68 18.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.266 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.71 -36.91 62.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.631 ' HB3' HD21 ' A' ' 61' ' ' LEU . 31.6 mttt -65.27 -56.35 13.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.582 ' CG2' HG22 ' A' ' 58' ' ' VAL . 30.0 t -43.1 -51.56 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -57.76 -44.31 86.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.636 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.4 OUTLIER -55.57 -37.66 68.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.343 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.666 HD22 HD12 ' A' ' 75' ' ' LEU . 14.3 mt -65.47 -45.14 84.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 51' ' ' GLY . 13.2 mt -63.54 -57.37 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.31 -41.02 65.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.636 HD12 ' O ' ' A' ' 45' ' ' GLN . 41.0 mt -68.92 -69.68 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 31.3 p -81.88 -69.62 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.471 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 108.13 22.51 7.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.553 1.158 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.646 ' HG3' HD22 ' A' ' 75' ' ' LEU . 8.5 mmtt -77.42 -177.78 4.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 0.753 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -61.33 118.85 7.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.433 ' CB ' HD11 ' A' ' 47' ' ' ILE . 23.9 tt0 -39.02 -59.99 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -42.42 -48.05 5.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.608 ' HA ' HD12 ' A' ' 59' ' ' ILE . 9.0 mm-40 -63.56 -53.41 52.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 98.9 m -48.35 -46.15 36.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 108.315 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.718 HG13 ' CZ ' ' A' ' 39' ' ' PHE . 71.1 t -62.62 -36.92 77.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' ' 56' ' ' GLU . 24.6 mt -67.22 -63.51 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.77 -49.81 14.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.631 HD21 ' HB3' ' A' ' 42' ' ' LYS . 4.8 tp -49.58 -61.99 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' ASP . 2.6 t-80 -58.21 -59.41 5.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.593 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' HIS . 1.3 t0 -40.4 -47.6 2.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 1.4 m -64.17 -69.16 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 108.269 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 7.7 m-20 157.54 45.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.81 14.08 54.11 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.474 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -95.76 133.97 39.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 0.774 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.515 HG23 ' HD3' ' A' ' 42' ' ' LYS . 2.7 t -78.48 -38.27 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -64.84 -64.53 0.85 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -45.41 -43.6 11.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.484 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -58.48 -55.03 40.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.502 HD11 HD13 ' A' ' 49' ' ' ILE . 8.1 mt -47.18 -43.26 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.57 -39.79 68.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.1 t -81.06 -52.82 13.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.666 HD12 HD22 ' A' ' 46' ' ' LEU . 9.8 mt -45.5 -53.56 8.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.8 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -47.33 -62.47 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.496 ' O ' HG23 ' A' ' 43' ' ' VAL . 71.5 t80 -57.54 -41.19 80.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -56.97 -56.29 23.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.75 -35.48 68.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.444 ' HB3' HD21 ' A' ' 61' ' ' LEU . 29.0 mttt -64.83 -53.21 50.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 39' ' ' PHE . 50.4 t -42.77 -57.98 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -52.41 -48.79 65.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.631 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -49.74 -40.87 42.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 110.289 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.664 HD22 ' CD1' ' A' ' 75' ' ' LEU . 13.3 mt -63.81 -44.64 92.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 51' ' ' GLY . 12.1 mt -61.98 -58.5 7.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.23 -42.08 66.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.631 HD12 ' O ' ' A' ' 45' ' ' GLN . 27.2 mt -64.38 -69.69 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.487 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 32.8 p -86.52 -69.59 0.66 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.406 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.487 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 111.94 24.08 5.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.551 ' HG3' HD22 ' A' ' 75' ' ' LEU . 19.3 mmtt -78.55 167.36 21.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -48.54 119.13 2.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.435 ' CB ' HD11 ' A' ' 47' ' ' ILE . 50.8 tt0 -38.75 -55.95 1.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -46.69 -49.29 19.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.36 -48.5 81.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.267 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 59.2 m -56.92 -54.27 48.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 108.343 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.472 HG13 ' CE2' ' A' ' 39' ' ' PHE . 79.3 t -52.89 -31.96 17.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' ALA . 26.5 mt -77.64 -70.32 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' ILE . . . -40.03 -47.24 2.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 67' ' ' ASP . 5.8 tp -46.98 -66.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 63' ' ' ASP . 2.4 t-80 -62.6 -52.39 63.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 109.589 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' HIS . 0.7 OUTLIER -40.15 -45.73 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -70.67 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 108.284 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.6 t30 176.68 38.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.421 ' C ' ' CD1' ' A' ' 61' ' ' LEU . . . 58.87 14.84 25.14 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 111.029 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.497 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -99.24 140.97 32.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.76 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.44 HG22 ' HG ' ' A' ' 46' ' ' LEU . 3.1 t -73.87 -45.56 49.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -61.55 -61.85 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -45.94 -38.09 7.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.246 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.574 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -66.13 -55.51 16.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.627 HD11 HD13 ' A' ' 49' ' ' ILE . 9.7 mt -46.18 -35.19 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.49 -41.34 94.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 71' ' ' ALA . 59.7 t -83.86 -50.91 14.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.664 ' CD1' HD22 ' A' ' 46' ' ' LEU . 7.6 mt -45.03 -54.12 6.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.7 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -52.27 -71.69 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.54 ' CE2' ' CG2' ' A' ' 43' ' ' VAL . 71.1 t80 -55.15 -48.96 72.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 111.039 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.97 -61.84 1.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.9 -47.14 32.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.769 ' HB3' HG23 ' A' ' 68' ' ' VAL . 17.0 mttt -54.71 -52.84 61.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.569 HG21 HG22 ' A' ' 58' ' ' VAL . 39.0 t -47.25 -56.89 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -52.91 -47.92 67.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.492 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 2.0 mm-40 -50.91 -38.89 52.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.665 HD22 ' CD1' ' A' ' 75' ' ' LEU . 12.8 mt -65.91 -47.3 75.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.53 HD11 ' HG3' ' A' ' 54' ' ' GLN . 18.8 mt -63.26 -48.15 88.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.31 -40.02 96.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 45' ' ' GLN . 44.0 mt -70.59 -69.9 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.48 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 33.5 p -85.92 -70.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.372 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.48 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 108.66 25.89 5.54 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.545 ' HB2' HD22 ' A' ' 75' ' ' LEU . 12.2 mmtt -77.22 173.15 12.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.751 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -46.59 115.68 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.53 ' HG3' HD11 ' A' ' 47' ' ' ILE . 26.7 tt0 -38.47 -58.04 1.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.606 ' O ' HD12 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -47.26 -60.76 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 60' ' ' ALA . 17.7 mm-40 -45.12 -45.34 11.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 66.5 m -56.77 -55.55 32.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 108.336 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.569 HG22 HG21 ' A' ' 43' ' ' VAL . 41.7 t -51.28 -46.58 33.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.606 HD12 ' O ' ' A' ' 55' ' ' ASP . 3.5 mt -64.82 -71.13 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 56' ' ' GLU . . . -40.47 -48.69 2.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 66' ' ' GLY . 8.8 tp -46.44 -65.3 0.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.148 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' ASP . 2.5 t-80 -62.29 -53.83 49.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.599 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' HIS . 1.4 t0 -39.63 -52.22 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -62.84 -69.43 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 108.305 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 t30 171.07 41.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . 55.8 17.53 15.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.095 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.97 124.43 46.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.769 HG23 ' HB3' ' A' ' 42' ' ' LYS . 3.1 t -61.8 -37.37 77.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.527 ' HA ' HD12 ' A' ' 72' ' ' ILE . 1.1 m120 -68.24 -65.17 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.4 ' O ' ' SG ' ' A' ' 64' ' ' CYS . 7.4 mmt180 -44.94 -38.19 4.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -62.51 -54.42 40.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.564 ' CG2' HD12 ' A' ' 76' ' ' LEU . 7.3 mt -41.17 -47.77 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -49.04 -46.64 44.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 71' ' ' ALA . 46.9 t -77.18 -52.79 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.665 ' CD1' HD22 ' A' ' 46' ' ' LEU . 9.1 mt -47.36 -65.07 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.564 HD12 ' CG2' ' A' ' 72' ' ' ILE . 31.5 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -48.9 -60.78 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.739 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 55.6 t80 -52.4 -41.67 63.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -55.99 -56.81 16.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.69 -40.58 63.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.335 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.685 ' HB3' HG23 ' A' ' 68' ' ' VAL . 27.1 mttt -60.33 -54.57 44.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.62 ' CG2' HG22 ' A' ' 58' ' ' VAL . 42.4 t -44.57 -54.57 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -54.4 -47.34 72.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.421 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 1.0 OUTLIER -52.27 -39.23 60.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.579 HD22 ' CD1' ' A' ' 75' ' ' LEU . 12.8 mt -64.43 -45.08 89.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.425 HD11 ' HG3' ' A' ' 54' ' ' GLN . 26.8 mt -64.94 -41.38 91.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.82 -36.01 72.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.421 ' CG1' ' O ' ' A' ' 45' ' ' GLN . 47.4 mt -75.58 -69.93 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.494 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 37.1 p -80.49 -73.49 0.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.359 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.494 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 111.35 27.25 4.25 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.625 ' HG3' HD22 ' A' ' 75' ' ' LEU . 17.8 mmtt -84.22 175.48 9.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.76 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -54.06 119.31 4.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.425 ' HG3' HD11 ' A' ' 47' ' ' ILE . 42.5 tt0 -38.71 -60.58 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -44.31 -50.97 8.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 59' ' ' ILE . 7.0 mm-40 -59.24 -45.93 89.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 110.339 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 87.8 m -55.62 -52.26 64.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 108.317 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.739 HG13 ' CZ ' ' A' ' 39' ' ' PHE . 77.7 t -58.19 -34.72 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 56' ' ' GLU . 52.6 mt -66.43 -58.52 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.62 -49.13 71.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.574 HD21 ' CB ' ' A' ' 42' ' ' LYS . 5.5 tp -48.55 -61.77 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -59.96 -55.02 39.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.584 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -40.77 -52.44 2.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 0.5 OUTLIER -65.24 -69.56 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 108.333 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 2.8 m-20 155.66 69.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 65' ' ' ASN . . . 37.34 31.02 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.463 ' CB ' ' HG3' ' A' ' 70' ' ' ARG . 0.2 OUTLIER -111.64 110.75 21.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.685 HG23 ' HB3' ' A' ' 42' ' ' LYS . 3.1 t -59.38 -39.69 79.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -65.19 -61.78 1.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.463 ' HG3' ' CB ' ' A' ' 67' ' ' ASP . 13.1 mmt180 -48.74 -41.15 31.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.422 ' HB2' ' HA ' ' A' ' 61' ' ' LEU . . . -58.78 -51.06 71.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.457 HG13 ' CD2' ' A' ' 46' ' ' LEU . 10.1 mt -51.76 -37.71 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.87 -24.5 67.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.417 HG21 ' SG ' ' A' ' 64' ' ' CYS . 57.9 t -95.34 -51.1 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.625 HD22 ' HG3' ' A' ' 52' ' ' LYS . 6.9 mt -49.08 -50.46 36.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.4 mt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.138 . . . . 0.0 109.26 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -42.7 -59.09 2.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.68 ' CE2' ' CG2' ' A' ' 43' ' ' VAL . 69.4 t80 -58.28 -43.54 88.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -51.23 -58.66 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.39 -30.68 41.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.592 ' HD3' HG23 ' A' ' 68' ' ' VAL . 48.6 mttt -73.47 -51.1 18.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.68 ' CG2' ' CE2' ' A' ' 39' ' ' PHE . 73.7 t -46.97 -52.89 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.246 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -56.1 -41.66 75.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.594 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -57.33 -37.23 72.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.543 HD22 HD12 ' A' ' 75' ' ' LEU . 14.0 mt -64.15 -43.17 96.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.473 HD11 ' CB ' ' A' ' 54' ' ' GLN . 12.6 mt -62.76 -59.56 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.12 -41.25 64.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.594 HD12 ' O ' ' A' ' 45' ' ' GLN . 35.0 mt -64.96 -69.67 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.486 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 32.0 p -86.3 -69.43 0.67 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.486 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 112.41 24.06 5.2 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.511 ' HB2' HD22 ' A' ' 75' ' ' LEU . 10.4 mmtt -78.6 -178.32 5.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.77 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -61.83 119.45 8.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.473 ' CB ' HD11 ' A' ' 47' ' ' ILE . 21.0 tt0 -39.67 -58.11 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -46.96 -54.69 9.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.772 ' HA ' HD12 ' A' ' 59' ' ' ILE . 7.0 mm-40 -53.06 -43.39 66.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.5 m -57.63 -53.26 60.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 108.296 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.485 HG13 ' CE2' ' A' ' 39' ' ' PHE . 69.5 t -50.96 -44.97 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.772 HD12 ' HA ' ' A' ' 56' ' ' GLU . 9.9 mt -56.91 -63.25 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.5 -64.17 0.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.502 HD21 ' CB ' ' A' ' 42' ' ' LYS . 15.8 tp -45.27 -60.62 2.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -49.1 -52.18 27.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.593 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -55.49 -50.44 69.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 36.4 m -62.87 -20.14 64.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 108.317 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 48.2 t30 81.84 59.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.27 39.09 95.79 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.472 ' C ' HD12 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -110.53 102.43 11.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 0.726 . . . . 0.0 109.263 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.592 HG23 ' HD3' ' A' ' 42' ' ' LYS . 3.5 t -68.44 -31.84 52.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -74.04 -66.6 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.596 ' O ' HG23 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -47.94 -37.48 14.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 67' ' ' ASP . . . -62.4 -46.46 88.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.511 HD12 ' O ' ' A' ' 68' ' ' VAL . 12.7 mt -54.85 -42.33 62.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.93 -40.26 88.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 70' ' ' ARG . 39.5 t -74.4 -56.07 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.543 HD12 HD22 ' A' ' 46' ' ' LEU . 15.3 mt -49.81 -57.98 6.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.437 HD12 HG22 ' A' ' 72' ' ' ILE . 75.0 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -51.44 -66.58 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.52 ' O ' HG23 ' A' ' 43' ' ' VAL . 68.7 t80 -55.72 -39.22 70.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -55.02 -57.91 9.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.19 -29.41 45.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.807 ' HD3' HG23 ' A' ' 68' ' ' VAL . 17.0 mttm -73.35 -52.29 14.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 39' ' ' PHE . 75.7 t -44.31 -48.48 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -60.48 -50.67 72.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.48 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 0.6 OUTLIER -49.88 -39.11 38.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.264 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.615 HD11 HD13 ' A' ' 61' ' ' LEU . 19.9 mt -61.55 -42.09 98.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 109.241 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' GLY . 14.3 mt -64.49 -59.99 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.94 -38.98 65.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.48 ' CG1' ' O ' ' A' ' 45' ' ' GLN . 46.8 mt -67.08 -69.56 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.47 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 31.6 p -84.44 -69.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.374 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.47 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 112.2 23.26 5.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 111.045 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.748 ' HB2' HD22 ' A' ' 75' ' ' LEU . 11.8 mmtt -79.46 179.89 7.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -61.92 120.99 11.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.425 ' CB ' HD11 ' A' ' 47' ' ' ILE . 14.4 tt0 -38.91 -60.19 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.35 -58.05 2.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.414 ' HA ' HD12 ' A' ' 59' ' ' ILE . 5.1 mm-40 -48.47 -45.29 36.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 85.0 m -56.7 -52.55 64.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 108.325 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 79.9 t -52.49 -42.89 40.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 56' ' ' GLU . 7.7 mt -63.45 -55.34 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.88 -66.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.615 HD13 HD11 ' A' ' 46' ' ' LEU . 15.6 tp -44.25 -59.38 2.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -49.55 -48.36 48.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.607 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -60.29 -48.71 80.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 39.2 m -69.91 -9.05 53.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 108.262 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 61' ' ' LEU . 1.9 m-20 66.99 76.55 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 48.51 47.83 28.77 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.419 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 0.4 OUTLIER -119.47 93.66 4.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.743 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.807 HG23 ' HD3' ' A' ' 42' ' ' LYS . 3.0 t -63.42 -37.47 79.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -66.95 -66.45 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.539 ' O ' HG23 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -50.24 -41.25 49.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 67' ' ' ASP . . . -59.65 -46.92 87.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.468 HG13 ' CD2' ' A' ' 46' ' ' LEU . 13.4 mt -52.92 -41.63 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.27 -38.91 91.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 70' ' ' ARG . 39.6 t -74.27 -56.69 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.748 HD22 ' HB2' ' A' ' 52' ' ' LYS . 10.6 mt -49.9 -54.54 18.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.9 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.343 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -42.16 -61.45 1.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.703 ' CE1' ' CG2' ' A' ' 43' ' ' VAL . 53.7 t80 -56.2 -46.08 79.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -50.05 -58.33 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.55 -34.9 59.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.709 ' HB3' HD21 ' A' ' 61' ' ' LEU . 30.6 mttt -69.66 -49.05 57.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 0.0 109.331 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.703 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 93.7 t -46.71 -51.11 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.8 mtpp -58.26 -51.52 69.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.456 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 1.0 OUTLIER -48.33 -37.23 16.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.616 HD22 HD12 ' A' ' 75' ' ' LEU . 18.4 mt -66.14 -46.19 78.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.43 HD11 ' CB ' ' A' ' 54' ' ' GLN . 26.2 mt -64.8 -40.68 89.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.53 -37.13 74.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.576 HD13 HD11 ' A' ' 72' ' ' ILE . 41.1 mt -74.76 -69.9 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.497 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 41.7 p -79.88 -74.94 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.394 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.497 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 112.9 26.58 4.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.651 ' HB2' HD22 ' A' ' 75' ' ' LEU . 11.0 mmtt -82.02 179.4 7.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 0.774 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -58.55 119.44 7.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.445 ' O ' HG23 ' A' ' 58' ' ' VAL . 31.0 tt0 -38.83 -57.03 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.671 ' O ' HD12 ' A' ' 59' ' ' ILE . 60.5 m-20 -45.43 -62.45 1.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -49.02 -42.51 38.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.333 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.485 ' HA ' HD11 ' A' ' 75' ' ' LEU . 85.3 m -59.43 -44.94 92.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.088 . . . . 0.0 108.303 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.507 HG13 ' CE1' ' A' ' 39' ' ' PHE . 98.3 t -60.17 -53.16 52.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.671 HD12 ' O ' ' A' ' 55' ' ' ASP . 2.7 mp -55.56 -55.8 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.82 -66.39 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.709 HD21 ' HB3' ' A' ' 42' ' ' LYS . 13.1 tp -41.34 -57.78 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -53.04 -49.4 66.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.593 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -57.46 -50.7 72.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.351 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 73.5 m -65.15 -16.31 63.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 108.354 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 11.3 t-20 81.49 74.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 44.57 41.22 6.78 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.495 ' O ' ' HB2' ' A' ' 71' ' ' ALA . 1.3 t70 -115.7 108.67 16.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.541 HG22 ' HG ' ' A' ' 46' ' ' LEU . 2.7 t -74.51 -38.61 46.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -63.93 -66.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -49.98 -34.51 21.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 110.342 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 67' ' ' ASP . . . -64.98 -58.23 6.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.576 HD11 HD13 ' A' ' 49' ' ' ILE . 11.6 mt -40.27 -38.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -63.86 -51.76 63.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' ALA . 39.7 t -66.93 -56.36 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.651 HD22 ' HB2' ' A' ' 52' ' ' LYS . 8.6 mt -46.18 -58.29 3.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.431 HD12 HG22 ' A' ' 72' ' ' ILE . 48.3 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -49.2 -66.99 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CE1' ' CG2' ' A' ' 43' ' ' VAL . 39.5 t80 -50.49 -42.43 54.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -51.73 -58.67 5.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.6 -35.46 54.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.518 ' HD3' HG23 ' A' ' 68' ' ' VAL . 25.0 mttt -66.53 -52.44 45.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.567 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 76.6 t -44.37 -51.27 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -58.22 -44.69 88.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.598 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -56.37 -38.88 72.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.648 HD21 ' HB3' ' A' ' 71' ' ' ALA . 37.5 mt -61.64 -45.48 93.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.471 HD11 ' CB ' ' A' ' 54' ' ' GLN . 13.4 mt -62.02 -57.7 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.1 -43.59 63.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.598 HD12 ' O ' ' A' ' 45' ' ' GLN . 23.1 mt -67.46 -69.89 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.49 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 31.1 p -82.81 -69.85 0.6 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.145 . . . . 0.0 110.454 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.49 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 109.2 19.54 8.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -75.44 164.53 26.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -43.76 119.2 1.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.471 ' CB ' HD11 ' A' ' 47' ' ' ILE . 15.4 tt0 -38.98 -54.54 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.664 ' O ' HD12 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -47.48 -57.18 5.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -49.84 -50.8 44.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.247 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 71.2 m -49.73 -49.27 48.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 108.318 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.6 t -57.1 -55.3 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.664 HD12 ' O ' ' A' ' 55' ' ' ASP . 3.0 mt -54.29 -48.56 67.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.7 -60.69 3.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . 12.1 tp -46.11 -60.99 1.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -53.74 -56.26 18.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.652 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -41.52 -53.32 3.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.41 -68.5 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 108.315 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 t30 168.79 -35.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.34 44.8 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.558 1.161 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.43 108.33 9.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 0.788 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.518 HG23 ' HD3' ' A' ' 42' ' ' LYS . 22.3 t -47.53 -44.14 9.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -58.95 -59.64 5.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -53.4 -48.27 68.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.648 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -54.89 -49.27 71.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.598 HD11 HD13 ' A' ' 49' ' ' ILE . 9.3 mt -51.25 -48.69 32.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.76 -37.58 42.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.0 t -80.43 -53.79 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.524 HD12 HD22 ' A' ' 46' ' ' LEU . 7.7 mt -49.18 -58.22 5.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.475 HD12 HG22 ' A' ' 72' ' ' ILE . 53.9 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -49.36 -55.48 12.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.346 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.668 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 47.5 t80 -60.7 -44.18 96.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -52.88 -57.62 9.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -36.72 44.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.638 ' HB3' HG23 ' A' ' 68' ' ' VAL . 35.7 mttp -66.75 -55.77 13.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.519 HG21 HG22 ' A' ' 58' ' ' VAL . 36.0 t -41.28 -52.7 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -56.66 -45.79 81.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.794 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -55.79 -37.14 68.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.685 HD21 ' HB3' ' A' ' 71' ' ' ALA . 48.4 mt -63.91 -45.33 89.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.481 HD11 ' CB ' ' A' ' 54' ' ' GLN . 14.3 mt -61.76 -57.6 11.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.24 -45.12 61.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.858 HD13 HD11 ' A' ' 72' ' ' ILE . 14.0 mt -67.02 -70.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.494 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 30.9 p -82.73 -70.07 0.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.494 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 110.13 17.61 9.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -72.81 161.61 30.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.783 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -42.66 119.72 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.481 ' CB ' HD11 ' A' ' 47' ' ' ILE . 30.8 tt0 -39.25 -53.42 1.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.255 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -50.18 -50.64 48.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.512 ' HA ' HD12 ' A' ' 59' ' ' ILE . 4.1 mm-40 -55.32 -47.6 75.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 62.6 m -53.0 -49.47 66.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 108.273 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.668 HG13 ' CZ ' ' A' ' 39' ' ' PHE . 69.4 t -55.74 -49.4 74.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 56' ' ' GLU . 7.9 mt -59.8 -51.68 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.18 -62.25 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.46 HD21 ' CB ' ' A' ' 42' ' ' LYS . 11.4 tp -43.38 -56.74 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -57.08 -51.84 67.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.58 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -40.13 -42.1 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.414 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -79.56 -61.35 2.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 108.28 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.414 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.4 OUTLIER 162.29 -48.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.5 43.48 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.25 98.47 5.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.638 HG23 ' HB3' ' A' ' 42' ' ' LYS . 3.6 t -44.24 -46.29 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -57.3 -60.67 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.437 ' O ' HG23 ' A' ' 74' ' ' VAL . 23.9 mmt85 -53.53 -48.97 68.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.685 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -52.39 -49.9 63.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.858 HD11 HD13 ' A' ' 49' ' ' ILE . 8.8 mt -48.93 -50.62 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -53.32 -35.15 59.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 70' ' ' ARG . 41.9 t -78.11 -55.79 9.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.613 HD12 HD22 ' A' ' 46' ' ' LEU . 6.4 mt -47.74 -58.97 3.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 76.5 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -42.21 -65.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.692 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 56.1 t80 -53.4 -42.91 67.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -54.24 -57.5 10.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -50.46 -38.65 44.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.289 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.636 ' HB3' HG23 ' A' ' 68' ' ' VAL . 29.2 mttm -62.1 -58.32 8.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.622 ' CG2' HG22 ' A' ' 58' ' ' VAL . 54.9 t -40.44 -55.82 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -53.61 -47.81 69.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.699 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -52.01 -40.57 61.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.352 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.725 HD22 ' CD1' ' A' ' 75' ' ' LEU . 21.1 mt -64.57 -52.41 57.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.433 HD11 ' CB ' ' A' ' 54' ' ' GLN . 17.3 mt -58.4 -35.76 55.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.53 -48.19 56.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.699 HD12 ' O ' ' A' ' 45' ' ' GLN . 7.4 mt -68.83 -70.34 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 43.8 p -74.38 -80.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.521 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 114.8 29.39 2.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt -86.64 175.98 8.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -56.08 119.65 6.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.433 ' CB ' HD11 ' A' ' 47' ' ' ILE . 34.2 tt0 -38.97 -55.2 1.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.473 ' O ' HD12 ' A' ' 59' ' ' ILE . 1.6 m-20 -45.77 -50.87 13.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.35 -52.97 61.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 56.3 m -51.63 -49.83 61.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 108.283 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.692 HG13 ' CZ ' ' A' ' 39' ' ' PHE . 73.3 t -59.57 -46.83 92.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.473 HD12 ' O ' ' A' ' 55' ' ' ASP . 15.9 mt -59.2 -57.29 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.68 -52.72 59.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.486 HD23 ' CE1' ' A' ' 39' ' ' PHE . 17.6 tp -41.61 -56.94 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -67.88 -52.67 33.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.645 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -41.33 -51.92 3.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -64.3 -71.16 0.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 108.277 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 67' ' ' ASP . 23.6 t30 168.73 60.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 37.73 30.55 0.07 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.426 1.079 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' ASN . 0.1 OUTLIER -114.5 125.14 53.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 0.747 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.636 HG23 ' HB3' ' A' ' 42' ' ' LYS . 4.5 t -63.84 -44.13 98.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -62.17 -63.27 1.3 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -46.55 -38.58 9.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.513 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -63.12 -58.59 6.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.557 HD11 HD13 ' A' ' 49' ' ' ILE . 7.5 mt -39.81 -43.64 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.82 -51.99 52.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 71' ' ' ALA . 60.1 t -74.39 -52.72 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.725 ' CD1' HD22 ' A' ' 46' ' ' LEU . 5.1 mt -42.49 -55.22 3.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 36.3 mt . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.942 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -47.71 -65.69 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.636 ' CE1' HD23 ' A' ' 61' ' ' LEU . 24.4 t80 -55.65 -42.69 75.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -56.21 -56.55 19.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.26 -29.48 58.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.448 ' HB3' ' CG2' ' A' ' 68' ' ' VAL . 72.2 mttt -76.98 -59.24 2.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.915 HG11 HG22 ' A' ' 58' ' ' VAL . 71.9 t -44.81 -41.12 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.944 ' HA ' HD12 ' A' ' 47' ' ' ILE . 20.2 tttt -70.17 -38.96 75.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.698 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -60.19 -32.15 70.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.336 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.576 HD22 ' CD1' ' A' ' 75' ' ' LEU . 10.4 mt -66.4 -34.13 77.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.944 HD12 ' HA ' ' A' ' 44' ' ' LYS . 22.0 mt -64.11 -59.79 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.32 -34.86 66.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.698 HD12 ' O ' ' A' ' 45' ' ' GLN . 26.1 mt -71.7 -69.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 29.3 p -78.64 -70.08 0.52 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.504 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 113.69 18.32 7.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -84.01 -178.8 7.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.338 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -66.02 114.69 5.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.763 ' CG ' HD11 ' A' ' 47' ' ' ILE . 36.0 tt0 -38.36 -58.83 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.49 -50.57 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.685 ' HA ' HD12 ' A' ' 59' ' ' ILE . 4.6 mm-40 -60.2 -41.87 93.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 54' ' ' GLN . 93.8 m -57.51 -39.0 75.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 108.288 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.915 HG22 HG11 ' A' ' 43' ' ' VAL . 65.7 t -63.04 -32.82 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 56' ' ' GLU . 20.4 mt -75.78 -58.15 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.07 -50.68 63.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.636 HD23 ' CE1' ' A' ' 39' ' ' PHE . 11.3 tp -53.87 -66.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -49.86 -61.26 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.6 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -41.3 -53.15 3.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 0.8 OUTLIER -55.0 -69.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 108.265 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 7.1 m-20 156.7 45.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.13 16.04 52.14 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.496 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -96.19 121.99 38.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 0.743 . . . . 0.0 109.337 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.448 ' CG2' ' HB3' ' A' ' 42' ' ' LYS . 2.9 t -68.23 -37.43 78.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.445 ' HA ' HD12 ' A' ' 72' ' ' ILE . 2.3 m-80 -67.45 -62.57 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -47.44 -36.36 9.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -60.89 -53.72 53.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.451 HG22 HD12 ' A' ' 76' ' ' LEU . 5.2 mt -44.65 -46.64 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.59 -39.69 58.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' ALA . 48.3 t -81.5 -52.57 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.576 ' CD1' HD22 ' A' ' 46' ' ' LEU . 14.6 mt -48.91 -53.93 17.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.451 HD12 HG22 ' A' ' 72' ' ' ILE . 59.7 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.14 -59.6 1.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.448 ' CE2' HG13 ' A' ' 58' ' ' VAL . 84.2 t80 -56.63 -40.55 75.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -58.8 -55.48 34.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.35 -32.98 70.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.35 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.496 ' HB3' HG23 ' A' ' 68' ' ' VAL . 86.6 mttt -69.72 -52.08 28.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.511 ' CG1' HG22 ' A' ' 58' ' ' VAL . 2.9 t -45.41 -52.96 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.82 ' HA ' HD12 ' A' ' 47' ' ' ILE . 6.6 tttt -62.16 -45.53 92.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.688 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -52.9 -34.52 55.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.266 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.657 HD11 HD13 ' A' ' 61' ' ' LEU . 9.9 mt -64.94 -33.97 77.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.82 HD12 ' HA ' ' A' ' 44' ' ' LYS . 30.7 mt -64.04 -59.66 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.27 -33.3 67.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.688 HD12 ' O ' ' A' ' 45' ' ' GLN . 24.9 mt -72.57 -70.03 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.605 HG21 HD13 ' A' ' 75' ' ' LEU . 30.1 p -73.79 -70.11 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.371 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.502 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 116.44 14.71 7.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.811 ' HG3' HD22 ' A' ' 75' ' ' LEU . 5.1 mmtt -79.84 -151.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -99.92 126.0 46.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.528 ' O ' HG23 ' A' ' 58' ' ' VAL . 48.2 tt0 -37.99 -63.94 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.482 ' O ' HD12 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -40.29 -60.87 0.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -52.24 -43.5 64.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 92.0 m -58.69 -41.9 87.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 108.33 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 54' ' ' GLN . 59.0 t -60.4 -51.31 74.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.482 HD12 ' O ' ' A' ' 55' ' ' ASP . 3.2 mt -56.47 -58.89 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.17 -58.32 6.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.657 HD13 HD11 ' A' ' 46' ' ' LEU . 8.6 tp -41.04 -56.99 2.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.09 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 63' ' ' ASP . 2.2 t-80 -62.48 -56.35 18.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.617 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 62' ' ' HIS . 0.3 OUTLIER -39.99 -54.42 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 70' ' ' ARG . 0.2 OUTLIER -57.8 -70.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 108.309 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 167.85 41.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . 60.22 13.87 30.42 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 110.961 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.501 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -97.34 130.99 44.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.744 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.501 HG22 ' HG ' ' A' ' 46' ' ' LEU . 3.3 t -69.32 -44.6 80.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -59.55 -59.66 5.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.404 ' O ' ' SG ' ' A' ' 64' ' ' CYS . 32.0 mmt180 -51.87 -35.86 46.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -63.54 -55.26 25.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.494 HD11 HG21 ' A' ' 49' ' ' ILE . 5.3 mt -47.76 -30.49 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.01 -39.58 90.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 71' ' ' ALA . 57.6 t -85.59 -50.9 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.811 HD22 ' HG3' ' A' ' 52' ' ' LYS . 7.2 mt -47.09 -61.21 1.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.433 HD12 HG22 ' A' ' 72' ' ' ILE . 51.2 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -52.09 -65.61 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.723 ' O ' HG23 ' A' ' 43' ' ' VAL . 48.5 t80 -57.15 -42.87 81.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -51.05 -58.88 4.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.94 -39.07 58.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.54 ' HD3' HG23 ' A' ' 68' ' ' VAL . 40.4 mttt -65.24 -48.71 72.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 39' ' ' PHE . 93.9 t -47.55 -51.98 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -57.09 -52.92 63.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.483 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -47.53 -40.43 18.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.342 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.568 HD22 ' CD1' ' A' ' 75' ' ' LEU . 18.4 mt -62.78 -60.72 3.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.734 HD11 ' HA ' ' A' ' 54' ' ' GLN . 10.0 mt -48.07 -27.2 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.9 -35.22 20.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 45' ' ' GLN . 10.3 mt -81.97 -71.93 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.995 HG21 HD13 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -57.07 -83.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.422 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 133.85 -9.34 4.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -65.81 -177.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -78.73 156.53 28.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.734 ' HA ' HD11 ' A' ' 47' ' ' ILE . 26.7 tt0 -55.29 -62.61 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.495 ' O ' HD12 ' A' ' 59' ' ' ILE . 48.3 m-20 -40.18 -42.69 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.431 ' HA ' HD12 ' A' ' 59' ' ' ILE . 3.7 mm-40 -70.83 -48.07 56.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 5.6 m -57.05 -44.65 83.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 108.316 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.47 HG13 ' CE1' ' A' ' 39' ' ' PHE . 88.8 t -59.51 -47.31 91.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.495 HD12 ' O ' ' A' ' 55' ' ' ASP . 18.1 mt -59.73 -47.71 90.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.463 ' CB ' ' HG ' ' A' ' 75' ' ' LEU . . . -57.66 -67.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.532 HD21 ' CB ' ' A' ' 42' ' ' LYS . 12.4 tp -42.65 -57.95 2.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -53.31 -45.36 68.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.565 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -41.76 -51.17 4.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.364 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.435 ' SG ' ' CB ' ' A' ' 70' ' ' ARG . 11.8 t -71.2 -69.43 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 108.306 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.451 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 5.4 p-10 166.88 -31.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 151.94 44.2 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.17 108.9 13.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.54 HG23 ' HD3' ' A' ' 42' ' ' LYS . 3.0 t -55.58 -37.27 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -68.07 -64.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.435 ' CB ' ' SG ' ' A' ' 64' ' ' CYS . 8.0 mmt-85 -49.94 -45.77 51.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.507 ' HB2' ' HA ' ' A' ' 61' ' ' LEU . . . -54.34 -48.0 71.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 68' ' ' VAL . 16.5 mt -53.45 -44.86 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -58.43 -22.92 55.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 83.4 t -89.83 -51.14 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.995 HD13 HG21 ' A' ' 50' ' ' THR . 6.2 mt -52.17 -36.44 51.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.6 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.335 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -51.43 -66.69 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.472 ' HE2' HG13 ' A' ' 58' ' ' VAL . 60.9 t80 -56.62 -37.55 70.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.093 . . . . 0.0 111.009 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -56.95 -57.48 12.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 110.333 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.97 -42.72 65.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.251 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.556 ' HB3' HG23 ' A' ' 68' ' ' VAL . 60.1 mttt -61.73 -53.1 60.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.454 ' CG2' ' CE2' ' A' ' 39' ' ' PHE . 11.5 t -45.89 -48.02 5.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 mtpp -61.21 -52.5 64.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.532 ' O ' HD12 ' A' ' 49' ' ' ILE . 1.6 mm-40 -49.44 -39.53 33.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.701 HD11 HD13 ' A' ' 61' ' ' LEU . 8.8 mt -62.37 -62.66 1.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.102 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.775 HD11 ' HA ' ' A' ' 54' ' ' GLN . 12.5 mt -46.69 -30.37 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.68 -37.21 27.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.532 HD12 ' O ' ' A' ' 45' ' ' GLN . 9.6 mt -79.64 -72.22 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.766 HG21 HD13 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -56.4 -83.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.395 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 133.83 -9.11 4.88 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -65.56 -170.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -85.76 160.23 19.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.775 ' HA ' HD11 ' A' ' 47' ' ' ILE . 46.8 tt0 -57.79 -61.71 2.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.21 -48.14 2.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.237 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.454 ' HA ' HD12 ' A' ' 59' ' ' ILE . 1.5 mm-40 -62.71 -52.56 62.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.4 m -54.9 -47.71 73.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 108.325 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.472 HG13 ' HE2' ' A' ' 39' ' ' PHE . 96.5 t -56.01 -49.1 77.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 56' ' ' GLU . 18.6 mt -56.93 -50.19 76.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.87 -63.81 1.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.701 HD13 HD11 ' A' ' 46' ' ' LEU . 12.7 tp -43.22 -59.36 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.599 1.187 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -54.71 -61.75 2.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.601 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.46 -48.9 2.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 1.2 m -59.68 -64.46 0.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 108.308 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 3.5 m-20 156.49 -25.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 135.46 44.19 0.1 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.15 111.22 11.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 0.783 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.556 HG23 ' HB3' ' A' ' 42' ' ' LYS . 17.2 t -54.34 -39.93 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -61.58 -61.58 2.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.03 -49.25 51.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -52.83 -55.81 20.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.465 HG12 HG23 ' A' ' 50' ' ' THR . 19.5 mt -45.0 -52.18 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.09 -36.36 13.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 71' ' ' ALA . 48.2 t -82.06 -53.09 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.766 HD13 HG21 ' A' ' 50' ' ' THR . 14.7 mt -49.02 -57.78 5.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.426 HD12 HG22 ' A' ' 72' ' ' ILE . 42.2 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -53.66 -66.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.43 1.081 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.653 ' CE1' ' CG2' ' A' ' 43' ' ' VAL . 63.8 t80 -54.8 -41.23 70.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -52.45 -58.76 5.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.91 -36.19 59.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.552 ' CB ' HD21 ' A' ' 61' ' ' LEU . 14.1 mttt -66.74 -55.01 16.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.653 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 71.9 t -45.63 -52.17 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -56.48 -50.74 70.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.492 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.4 OUTLIER -50.62 -39.21 49.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.271 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.558 HD22 ' CD1' ' A' ' 75' ' ' LEU . 10.3 mt -63.05 -63.08 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.926 HD11 ' HA ' ' A' ' 54' ' ' GLN . 12.5 mt -48.0 -27.67 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.39 -36.52 24.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.492 HD12 ' O ' ' A' ' 45' ' ' GLN . 10.9 mt -82.24 -72.2 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.693 HG21 HD13 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -57.76 -84.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 137.83 -10.88 3.67 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.13 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.783 ' HG3' HD22 ' A' ' 75' ' ' LEU . 17.4 mmtt -59.39 -171.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -91.25 154.34 19.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.165 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.926 ' HA ' HD11 ' A' ' 47' ' ' ILE . 14.9 tt0 -50.0 -62.52 1.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -41.05 -57.07 2.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.514 ' HA ' HD12 ' A' ' 59' ' ' ILE . 4.0 mm-40 -55.75 -53.97 50.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 68.8 m -52.13 -61.78 2.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 108.321 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.485 HG13 ' CE1' ' A' ' 39' ' ' PHE . 64.5 t -41.68 -49.47 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 56' ' ' GLU . 24.2 mt -56.86 -50.42 75.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.459 ' CB ' ' HG ' ' A' ' 75' ' ' LEU . . . -56.02 -62.35 1.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.552 HD21 ' CB ' ' A' ' 42' ' ' LYS . 12.6 tp -45.78 -59.61 2.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' ASP . 24.2 t60 -51.78 -47.66 64.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.635 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' HIS . 9.1 t0 -40.37 -51.53 2.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.546 1.153 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.467 ' SG ' ' CB ' ' A' ' 70' ' ' ARG . 46.3 t -70.45 -65.82 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 108.302 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 2.3 m-20 158.85 -27.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.86 44.54 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.444 ' HB3' ' CG ' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -125.52 95.84 4.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.475 HG23 ' HB3' ' A' ' 42' ' ' LYS . 3.0 t -44.39 -43.72 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.16 -60.83 3.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.467 ' CB ' ' SG ' ' A' ' 64' ' ' CYS . 19.8 mmt180 -51.6 -48.51 63.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.479 ' HB2' ' HA ' ' A' ' 61' ' ' LEU . . . -48.87 -53.32 19.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.46 HG12 HG23 ' A' ' 50' ' ' THR . 12.1 mt -46.43 -53.59 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -48.93 -31.57 7.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 71' ' ' ALA . 50.2 t -83.64 -53.97 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.783 HD22 ' HG3' ' A' ' 52' ' ' LYS . 4.6 mt -46.66 -57.81 4.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.407 HD12 HG22 ' A' ' 72' ' ' ILE . 19.9 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -56.49 -67.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.528 ' CE2' ' CG2' ' A' ' 43' ' ' VAL . 65.2 t80 -55.82 -40.53 72.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -53.86 -58.2 8.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.83 -37.16 50.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.675 ' HB3' HG23 ' A' ' 68' ' ' VAL . 51.8 mttt -67.94 -57.91 5.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.528 ' CG2' ' CE2' ' A' ' 39' ' ' PHE . 71.4 t -42.13 -45.74 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -63.98 -55.87 19.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.244 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.428 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.9 OUTLIER -46.51 -38.38 9.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.729 ' HG ' HG22 ' A' ' 68' ' ' VAL . 10.7 mt -62.33 -61.74 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.868 HD11 ' HA ' ' A' ' 54' ' ' GLN . 27.9 mt -47.85 -27.77 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.44 -35.91 22.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 46' ' ' LEU . 11.6 mt -81.72 -72.16 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.734 HG21 HD13 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -56.86 -83.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.389 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 136.01 -11.09 4.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -61.63 -170.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -89.33 156.74 18.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.868 ' HA ' HD11 ' A' ' 47' ' ' ILE . 26.5 tt0 -53.44 -61.75 2.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -40.04 -53.16 2.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.49 ' HA ' HD12 ' A' ' 59' ' ' ILE . 3.7 mm-40 -56.21 -54.06 49.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 65.0 m -54.71 -50.93 67.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 108.322 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 78.5 t -51.62 -31.57 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 56' ' ' GLU . 19.7 mt -80.66 -53.28 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.25 -52.79 50.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.51 HD13 HD11 ' A' ' 46' ' ' LEU . 7.5 tp -53.32 -61.51 2.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 -50.79 -57.81 7.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.591 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -41.4 -52.03 3.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.467 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 1.1 m -58.9 -66.26 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 108.328 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 1.0 OUTLIER 159.2 -27.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.58 44.95 0.08 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.558 1.161 . . . . 0.0 111.055 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.17 110.71 10.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 0.778 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.729 HG22 ' HG ' ' A' ' 46' ' ' LEU . 2.9 t -52.23 -40.56 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -62.87 -62.16 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -49.07 -47.61 44.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.09 -53.33 54.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.645 HG12 HG23 ' A' ' 50' ' ' THR . 8.1 mt -47.03 -54.54 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -46.54 -29.74 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.8 t -88.45 -52.43 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.734 HD13 HG21 ' A' ' 50' ' ' THR . 10.2 mt -49.61 -54.08 20.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 62.1 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -45.88 -59.55 2.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.738 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 74.2 t80 -56.99 -40.86 77.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -55.17 -57.5 11.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 110.236 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.89 -33.07 55.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.641 ' HB3' HD21 ' A' ' 61' ' ' LEU . 35.5 mttt -71.72 -58.63 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.681 HG21 ' CE2' ' A' ' 39' ' ' PHE . 4.6 t -42.8 -54.43 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -53.88 -50.48 66.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.486 ' OE1' HD11 ' A' ' 49' ' ' ILE . 1.2 mm-40 -49.64 -41.37 42.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' THR . 15.5 mt -62.1 -60.07 4.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.614 HD11 ' HA ' ' A' ' 54' ' ' GLN . 16.6 mt -48.97 -24.83 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.83 -33.8 17.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.486 HD11 ' OE1' ' A' ' 45' ' ' GLN . 11.8 mt -83.97 -71.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.172 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.743 HG21 HD13 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -58.06 -83.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 132.61 -7.19 5.25 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.473 ' HG3' HD22 ' A' ' 75' ' ' LEU . 3.7 mmtp -65.85 -169.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -86.63 152.8 22.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.614 ' HA ' HD11 ' A' ' 47' ' ' ILE . 24.2 tt0 -54.92 -60.0 3.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' GLN . 23.8 m-20 -39.86 -57.39 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.814 ' HA ' HD12 ' A' ' 59' ' ' ILE . 2.5 mm-40 -57.46 -51.81 67.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 98.1 m -51.36 -49.35 61.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.738 HG13 ' CZ ' ' A' ' 39' ' ' PHE . 97.5 t -54.5 -46.69 71.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.814 HD12 ' HA ' ' A' ' 56' ' ' GLU . 45.6 mt -53.85 -54.6 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.61 -62.05 2.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.641 HD21 ' HB3' ' A' ' 42' ' ' LYS . 12.9 tp -47.56 -64.03 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -47.21 -50.81 20.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.613 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -56.27 -47.36 78.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 38.6 m -67.9 -19.87 65.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 108.293 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 16.7 t30 82.03 62.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 59.77 41.17 97.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 71' ' ' ALA . 0.7 OUTLIER -113.49 107.91 16.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.714 ' O ' HD12 ' A' ' 72' ' ' ILE . 2.9 t -75.15 -37.09 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -67.04 -66.52 0.55 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.58 ' O ' HG23 ' A' ' 74' ' ' VAL . 7.9 mtt180 -48.47 -44.56 35.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 67' ' ' ASP . . . -55.72 -48.45 75.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.714 HD12 ' O ' ' A' ' 68' ' ' VAL . 8.8 mt -54.53 -32.87 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.29 -34.2 63.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 70' ' ' ARG . 41.0 t -77.44 -56.59 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.743 HD13 HG21 ' A' ' 50' ' ' THR . 8.0 mt -47.53 -52.57 17.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 42.0 mt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -96.3 61.77 2.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 0.736 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 p -156.09 -50.65 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 109.949 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.76 -64.54 1.2 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 51.37 94.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.767 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -148.77 88.32 1.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.74 -128.72 1.25 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.55 1.156 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -137.65 -58.98 0.68 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 109.267 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -175.06 129.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -93.26 97.1 10.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -152.71 130.37 11.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.0 p -103.45 125.99 50.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.383 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.5 98.91 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 110.246 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -167.51 -47.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.614 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.58 145.55 47.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -99.17 168.93 9.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.359 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 63.19 149.23 0.1 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -171.45 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.529 1.805 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 55.91 53.25 9.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.265 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.07 38.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -139.16 -75.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.415 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.38 -50.9 5.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -43.9 -58.83 2.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -39.0 -62.0 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.247 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 30.6 mt -41.54 -51.43 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.85 -38.17 85.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.288 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.3 mt -56.48 -63.2 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.411 ' CB ' ' OD1' ' A' ' 55' ' ' ASP . . . -55.08 -34.49 63.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -67.93 -33.02 73.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 19.8 mtm -84.94 -41.05 16.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.553 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 3.5 mt -67.55 -26.8 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.359 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.4 t -56.06 -49.73 72.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.0 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -47.92 -55.63 9.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.553 ' CD2' ' HA ' ' A' ' 31' ' ' ILE . 12.7 p80 -92.37 100.37 12.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.601 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -147.81 168.21 22.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -148.4 163.81 36.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.39 -41.65 98.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -53.71 -65.75 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.52 ' CE1' HG21 ' A' ' 43' ' ' VAL . 55.2 t80 -53.29 -43.56 67.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.973 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -52.83 -57.86 8.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.86 -40.43 56.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.478 ' HB3' HG23 ' A' ' 68' ' ' VAL . 33.7 mttt -64.22 -53.03 55.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.526 HG21 HG22 ' A' ' 58' ' ' VAL . 4.8 t -44.8 -54.48 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.5 mtpp -54.75 -41.89 70.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.756 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -59.69 -36.66 76.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.347 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.793 HD21 ' HB3' ' A' ' 71' ' ' ALA . 19.5 mt -64.97 -45.98 83.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 51' ' ' GLY . 12.7 mt -62.47 -56.41 17.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.19 -43.33 64.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.756 HD12 ' O ' ' A' ' 45' ' ' GLN . 20.9 mt -69.14 -70.11 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.482 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 30.3 p -80.52 -69.74 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.407 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.482 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 106.62 27.51 5.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -84.41 165.38 18.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -44.86 118.93 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.417 ' CB ' HD11 ' A' ' 47' ' ' ILE . 8.9 tt0 -39.02 -60.13 0.9 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.411 ' OD1' ' CB ' ' A' ' 28' ' ' ALA . 61.0 m-20 -42.5 -51.63 4.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.506 ' HA ' HD12 ' A' ' 59' ' ' ILE . 7.7 mm-40 -57.69 -44.04 85.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.9 m -58.89 -43.53 90.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 108.299 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.526 HG22 HG21 ' A' ' 43' ' ' VAL . 56.0 t -61.94 -39.61 84.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 56' ' ' GLU . 11.0 mt -70.83 -53.53 21.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.5 -58.93 4.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.471 HD13 HD11 ' A' ' 46' ' ' LEU . 9.1 tp -46.46 -58.7 3.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -54.31 -58.1 8.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.615 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.42 -48.15 2.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 0.8 OUTLIER -61.92 -62.47 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 108.296 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 5.9 m-20 156.4 -25.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 133.74 43.89 0.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.69 112.57 13.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.478 HG23 ' HB3' ' A' ' 42' ' ' LYS . 4.1 t -51.91 -45.21 39.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -60.67 -62.7 1.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -46.68 -43.87 18.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.793 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -59.92 -57.03 14.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.634 HD11 HD13 ' A' ' 49' ' ' ILE . 11.1 mt -45.96 -45.42 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.1 -37.51 61.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 71' ' ' ALA . 49.9 t -83.07 -52.36 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.667 HD12 HD22 ' A' ' 46' ' ' LEU . 8.2 mt -48.01 -56.57 7.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 41.8 mt -41.52 -56.89 2.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -124.06 -92.97 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 124.45 -167.3 16.8 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -60.12 133.53 90.26 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 66.05 6.05 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.448 1.762 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 46.92 70.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.1 t -97.29 143.11 28.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.352 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -69.03 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.572 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 t -143.36 123.04 13.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -169.36 127.27 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 108.009 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 64.16 153.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 60.69 148.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 68.5 t -86.88 127.77 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -96.33 96.69 1.95 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -142.18 156.8 45.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -111.05 148.46 32.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -151.1 167.68 26.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 166.09 155.38 8.76 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.3 p -103.75 -27.13 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.3 t -163.89 -65.22 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.027 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -168.27 -128.08 0.97 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 0.0 110.963 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -65.61 146.0 55.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 99' ' ' SER . 1.6 ptmm? -68.93 113.72 6.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 98' ' ' LYS . 3.1 t 83.97 145.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.032 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 142.76 -85.18 0.19 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.151 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 88.97 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.557 1.819 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.0 p -124.4 -64.78 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.97 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.6 m -157.26 150.85 24.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.035 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 t -94.34 -58.58 2.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 110.017 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.85 111.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.046 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.26 -150.68 44.16 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.487 1.117 . . . . 0.0 110.943 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.8 p -45.49 164.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 0.783 . . . . 0.0 110.039 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 m -110.21 170.37 8.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.962 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.94 -73.2 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.3 p30 -79.84 -175.37 4.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 0.721 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -126.07 50.95 1.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 67.43 154.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.83 -60.31 1.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.241 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.5 m -61.81 -64.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.57 131.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.347 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -110.67 155.88 21.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.606 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 mttp -70.94 -63.06 1.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.05 169.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -78.69 118.91 75.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 179.65 5.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.481 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 4.0 tt0 62.43 70.12 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 19' ' ' GLN . . . 176.58 -178.78 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.7 m 62.03 -81.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.413 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 20' ' ' ALA . . . -84.46 -38.22 20.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -58.56 -58.25 9.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -42.06 -54.44 3.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 92.1 mt -43.43 -65.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 30' ' ' MET . 12.5 mtt180 -54.53 -44.47 72.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.429 ' C ' HD12 ' A' ' 31' ' ' ILE . 10.3 mt -52.72 -66.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.27 -30.26 7.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -76.07 -33.16 59.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' LEU . 1.4 mmm -81.99 -41.26 20.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.429 HD12 ' C ' ' A' ' 27' ' ' LEU . 1.8 mt -60.14 -59.94 3.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.44 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 58.1 p -40.8 -52.11 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.041 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.16 -52.62 64.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -91.19 92.45 8.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.626 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 32' ' ' SER . 25.4 p30 -157.08 172.44 18.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -117.47 173.45 6.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.2 93.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -52.1 -62.61 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.468 ' CE2' HG13 ' A' ' 58' ' ' VAL . 81.7 t80 -53.13 -40.37 64.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -57.06 -56.8 17.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.49 -39.82 64.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.684 ' HB3' HG23 ' A' ' 68' ' ' VAL . 31.4 mttt -61.3 -54.3 45.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.606 ' CG2' HG22 ' A' ' 58' ' ' VAL . 24.7 t -42.2 -57.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -53.33 -46.73 69.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.474 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -52.18 -40.62 61.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.617 HD22 ' CD1' ' A' ' 75' ' ' LEU . 12.4 mt -63.46 -44.9 93.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.415 HD11 ' CB ' ' A' ' 54' ' ' GLN . 13.0 mt -62.94 -56.05 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.21 -38.97 71.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.474 ' CG1' ' O ' ' A' ' 45' ' ' GLN . 48.5 mt -69.2 -69.69 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.484 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 32.1 p -85.23 -69.2 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.422 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.484 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 109.84 22.23 6.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.572 1.17 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.492 ' HG3' HD22 ' A' ' 75' ' ' LEU . 17.4 mmtt -75.73 176.57 7.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 0.0 109.342 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -56.32 118.06 4.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.415 ' CB ' HD11 ' A' ' 47' ' ' ILE . 35.7 tt0 -38.84 -59.33 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.58 -49.79 13.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -59.7 -47.36 85.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 74.5 m -58.82 -51.23 70.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 108.321 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.606 HG22 ' CG2' ' A' ' 43' ' ' VAL . 79.3 t -58.02 -35.76 53.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.7 mt -71.79 -62.99 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -49.59 -46.82 49.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 67' ' ' ASP . 8.5 tp -47.18 -66.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -60.73 -54.55 43.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.609 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -40.04 -46.14 2.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -68.59 -70.32 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 108.306 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.0 t30 174.5 40.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 56.58 16.74 17.34 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.536 1.147 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.504 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -100.61 134.31 43.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 0.802 . . . . 0.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.684 HG23 ' HB3' ' A' ' 42' ' ' LYS . 3.6 t -68.54 -36.84 76.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.21 -64.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -43.02 -37.03 1.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.472 ' CB ' HD11 ' A' ' 46' ' ' LEU . . . -65.26 -58.07 6.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.496 HG22 HD12 ' A' ' 76' ' ' LEU . 28.2 mt -41.28 -40.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.15 -49.36 69.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 71' ' ' ALA . 55.0 t -78.66 -51.01 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.617 ' CD1' HD22 ' A' ' 46' ' ' LEU . 8.1 mt -45.48 -60.83 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.496 HD12 HG22 ' A' ' 72' ' ' ILE . 42.7 mt -47.1 -61.58 1.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -44.04 -58.31 2.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.292 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.95 96.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.543 1.152 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -121.87 133.62 24.37 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.531 0.783 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 55.87 4.05 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.466 1.772 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.6 t70 64.04 83.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.611 HG22 ' O ' ' A' ' 82' ' ' THR . 1.3 m -143.94 74.96 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.371 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -125.7 115.72 20.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.531 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 49.1 m -62.24 100.36 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -47.4 161.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 108.04 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 46.96 74.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.35 101.64 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.4 p -135.29 123.94 40.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 61.83 -105.42 0.92 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.75 132.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt 61.55 95.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.33 147.71 52.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -127.14 -135.2 4.1 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 24.5 t 40.93 85.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 109.251 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.88 87.32 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.0 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -83.69 -67.19 1.46 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -150.83 -59.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 0.774 . . . . 0.0 110.314 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 99' ' ' SER . 0.0 OUTLIER 66.94 98.62 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 98' ' ' LYS . 1.1 t 83.72 -53.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 110.031 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 93.34 157.32 33.3 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.469 1.106 . . . . 0.0 111.049 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 174.67 12.37 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.426 1.75 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.94 166.34 11.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.028 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.37 104.63 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 110.02 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.11 166.49 11.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 0.739 . . . . 0.0 109.995 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 p 178.19 -62.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.99 -148.78 5.15 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.437 1.086 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.91 104.5 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 109.964 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.0 p -148.75 158.16 43.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.985 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.49 -11.45 19.04 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -142.61 65.68 1.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.434 0.726 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.19 126.84 2.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -50.39 138.41 17.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.27 168.63 11.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.94 136.17 54.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 110.355 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.95 116.35 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -52.16 -43.16 63.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.598 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -66.01 159.33 26.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -105.56 123.46 47.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -114.43 149.48 42.24 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 143.51 29.23 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.03 178.49 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.463 ' O ' ' CB ' ' A' ' 21' ' ' THR . . . -40.53 158.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.162 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.463 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 2.6 m 80.3 -72.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.35 -38.37 63.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -71.85 -47.87 49.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.21 -51.43 44.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.0 mt -47.36 -48.77 9.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.354 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -69.22 -31.26 69.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 30' ' ' MET . 9.8 mt -67.99 -66.35 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.27 -33.4 8.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -70.04 -33.88 72.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' LEU . 22.9 mtp -82.37 -42.05 19.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.436 HD12 ' C ' ' A' ' 27' ' ' LEU . 1.5 mt -57.24 -55.8 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 t -43.76 -58.42 2.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.977 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.91 -52.03 5.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -95.39 66.58 2.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.576 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -112.08 163.01 14.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -129.51 166.84 18.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.5 -49.31 78.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -47.35 -64.88 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.699 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 63.0 t80 -53.0 -42.8 65.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -55.45 -56.8 16.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.132 . . . . 0.0 110.291 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -40.49 62.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.671 ' HB3' HG23 ' A' ' 68' ' ' VAL . 34.0 mttt -60.55 -55.15 36.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.546 ' CG2' HG22 ' A' ' 58' ' ' VAL . 48.6 t -43.33 -55.6 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 109.359 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -53.59 -49.69 67.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.576 ' O ' HD12 ' A' ' 49' ' ' ILE . 1.3 mm-40 -50.45 -41.82 53.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.653 HD22 ' CD1' ' A' ' 75' ' ' LEU . 16.5 mt -60.96 -46.11 92.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.431 HD11 ' CB ' ' A' ' 54' ' ' GLN . 13.1 mt -62.58 -50.53 79.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -41.81 93.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.576 HD12 ' O ' ' A' ' 45' ' ' GLN . 17.6 mt -68.37 -69.84 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.492 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 44.1 p -82.23 -75.19 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.492 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 113.81 26.46 3.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -83.49 169.38 15.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' GLN . 57.8 m-20 -46.66 119.2 2.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.431 ' CB ' HD11 ' A' ' 47' ' ' ILE . 46.6 tt0 -38.76 -59.65 0.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -44.99 -51.31 10.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.433 ' HA ' HD12 ' A' ' 59' ' ' ILE . 6.2 mm-40 -57.23 -44.91 84.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 78.1 m -58.43 -52.38 65.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.291 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.699 HG13 ' CZ ' ' A' ' 39' ' ' PHE . 87.9 t -56.49 -32.27 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 56' ' ' GLU . 23.7 mt -75.98 -65.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.03 -33.22 4.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.549 ' HA ' ' HB2' ' A' ' 71' ' ' ALA . 6.7 tp -65.56 -66.34 0.56 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -57.34 -53.53 57.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.559 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -40.6 -47.77 2.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -70.18 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 108.302 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 169.65 41.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.18 12.19 36.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.448 1.092 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.501 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -96.29 131.18 43.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.751 . . . . 0.0 109.297 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.671 HG23 ' HB3' ' A' ' 42' ' ' LYS . 3.3 t -71.3 -40.09 73.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.418 1.074 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.73 -59.43 4.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -48.16 -46.47 34.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 110.338 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.549 ' HB2' ' HA ' ' A' ' 61' ' ' LEU . . . -59.08 -52.02 67.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.509 HD11 HD13 ' A' ' 49' ' ' ILE . 13.4 mt -45.16 -48.34 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -50.54 -37.22 38.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 71' ' ' ALA . 62.0 t -83.49 -52.55 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.353 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.653 ' CD1' HD22 ' A' ' 46' ' ' LEU . 13.6 mt -49.31 -49.93 41.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 77' ' ' GLU . 35.1 mt -56.48 -64.51 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 76' ' ' LEU . 6.4 pt-20 37.44 63.02 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -108.83 63.42 0.28 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.479 1.112 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 82' ' ' THR . 63.3 m-20 62.58 133.43 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -8.96 20.57 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.574 1.828 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -159.08 -46.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.67 HG22 ' N ' ' A' ' 83' ' ' HIS . 0.9 OUTLIER 167.98 -77.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.444 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.67 ' N ' HG22 ' A' ' 82' ' ' THR . 0.0 OUTLIER 63.65 -79.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.587 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 82' ' ' THR . 20.7 m -157.73 171.83 19.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.412 ' O ' ' CB ' ' A' ' 86' ' ' GLU . 11.8 p-90 -154.2 172.65 17.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 107.968 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.412 ' CB ' ' O ' ' A' ' 85' ' ' TRP . 0.7 OUTLIER 79.5 132.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.287 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.1 92.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.6 HG22 ' H ' ' A' ' 89' ' ' GLY . 3.4 p -153.09 176.47 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.6 ' H ' HG22 ' A' ' 88' ' ' VAL . . . 166.27 105.48 0.19 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.86 139.13 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -173.45 132.41 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -172.24 151.75 2.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.34 104.19 0.24 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 94' ' ' VAL . 28.5 m -138.34 85.22 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 28.2 p -177.65 154.79 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 110.006 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 141.07 139.51 3.7 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.447 1.092 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 178.33 104.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.0 177.7 8.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 68.5 m -111.02 112.92 25.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.989 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 109.34 -84.53 0.37 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 69.21 5.6 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.4 83.67 2.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.0 t -179.76 114.68 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.001 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.94 0 O-C-N 124.546 1.154 . . . . 0.0 111.035 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -111.1 144.13 40.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 109.998 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 m -122.59 169.84 10.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.031 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.37 -157.3 7.1 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 111.039 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.8 p -174.74 149.1 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 110.013 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.1 m -150.33 167.92 25.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.98 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.9 -169.95 28.13 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 110.94 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -42.64 140.0 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -177.4 168.82 2.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.9 m120 61.75 144.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 49.87 71.41 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.8 m -150.88 97.68 2.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.424 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -57.23 127.5 32.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -77.73 -66.53 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.609 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 ptmt 40.71 46.29 2.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.96 169.98 16.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.67 165.59 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.265 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -173.12 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.525 1.802 . . . . 0.0 110.975 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.446 ' CG ' ' HG2' ' A' ' 23' ' ' GLU . 0.7 OUTLIER -123.11 58.07 1.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.82 58.99 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 m -159.41 -71.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.392 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.27 -51.6 4.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.446 ' HG2' ' CG ' ' A' ' 19' ' ' GLN . 1.5 tp10 -44.45 -58.15 3.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.233 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -39.69 -58.99 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 110.349 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 68.7 mt -42.26 -59.0 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -59.86 -41.14 90.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.3 mt -55.24 -65.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.33 -26.87 5.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -78.71 -33.77 46.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.256 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -46.3 14.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.8 mt -57.82 -53.91 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.4 p -44.73 -59.54 2.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.987 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -41.32 -49.88 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -91.85 67.17 5.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.624 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -116.24 172.17 7.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -150.36 155.5 39.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.68 -51.52 12.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -47.71 -65.75 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.718 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 46.4 t80 -52.93 -40.83 63.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -56.73 -56.68 18.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.266 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.71 -36.91 62.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.631 ' HB3' HD21 ' A' ' 61' ' ' LEU . 31.6 mttt -65.27 -56.35 13.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.582 ' CG2' HG22 ' A' ' 58' ' ' VAL . 30.0 t -43.1 -51.56 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -57.76 -44.31 86.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.636 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.4 OUTLIER -55.57 -37.66 68.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.343 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.666 HD22 HD12 ' A' ' 75' ' ' LEU . 14.3 mt -65.47 -45.14 84.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 51' ' ' GLY . 13.2 mt -63.54 -57.37 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.31 -41.02 65.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.636 HD12 ' O ' ' A' ' 45' ' ' GLN . 41.0 mt -68.92 -69.68 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 31.3 p -81.88 -69.62 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.471 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 108.13 22.51 7.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.553 1.158 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.646 ' HG3' HD22 ' A' ' 75' ' ' LEU . 8.5 mmtt -77.42 -177.78 4.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 0.753 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -61.33 118.85 7.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.433 ' CB ' HD11 ' A' ' 47' ' ' ILE . 23.9 tt0 -39.02 -59.99 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -42.42 -48.05 5.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.608 ' HA ' HD12 ' A' ' 59' ' ' ILE . 9.0 mm-40 -63.56 -53.41 52.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 98.9 m -48.35 -46.15 36.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 108.315 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.718 HG13 ' CZ ' ' A' ' 39' ' ' PHE . 71.1 t -62.62 -36.92 77.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' ' 56' ' ' GLU . 24.6 mt -67.22 -63.51 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.77 -49.81 14.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.631 HD21 ' HB3' ' A' ' 42' ' ' LYS . 4.8 tp -49.58 -61.99 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' ASP . 2.6 t-80 -58.21 -59.41 5.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.593 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' HIS . 1.3 t0 -40.4 -47.6 2.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 1.4 m -64.17 -69.16 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 108.269 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 7.7 m-20 157.54 45.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.81 14.08 54.11 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.474 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -95.76 133.97 39.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 0.774 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.515 HG23 ' HD3' ' A' ' 42' ' ' LYS . 2.7 t -78.48 -38.27 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -64.84 -64.53 0.85 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -45.41 -43.6 11.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.484 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -58.48 -55.03 40.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.502 HD11 HD13 ' A' ' 49' ' ' ILE . 8.1 mt -47.18 -43.26 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.57 -39.79 68.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.1 t -81.06 -52.82 13.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.666 HD12 HD22 ' A' ' 46' ' ' LEU . 9.8 mt -45.5 -53.56 8.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.8 mt -56.74 -63.62 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.66 -63.35 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 89.36 173.98 46.12 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -173.49 128.61 0.5 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -33.17 4.77 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.519 1.8 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -152.73 -55.65 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m 48.6 95.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.379 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -134.93 139.94 45.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.626 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.1 t -143.8 74.94 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.013 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -171.78 -49.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 108.016 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.25 112.44 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 42.26 85.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.4 HG13 ' N ' ' A' ' 89' ' ' GLY . 7.3 p -124.53 -47.48 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.4 ' N ' HG13 ' A' ' 88' ' ' VAL . . . -73.61 60.55 2.02 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.62 73.99 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt 42.29 64.88 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.97 134.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -156.57 78.66 0.19 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 68.9 t 56.09 79.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.3 t -50.91 -58.29 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.026 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 97.07 107.74 2.5 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.7 146.53 7.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 0.739 . . . . 0.0 110.272 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -130.62 108.9 10.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 90.2 p -171.02 168.64 6.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.98 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -124.94 96.52 0.51 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 164.02 34.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.495 1.787 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 27.8 p -131.34 124.41 30.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.029 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.0 t -108.77 136.78 47.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.006 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 t -78.65 89.2 4.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.995 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -153.07 114.41 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.004 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.41 153.37 16.86 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.1 p -137.47 129.73 29.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 0.729 . . . . 0.0 109.985 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -107.2 123.6 48.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.964 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.05 -99.86 1.58 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -154.67 -51.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.792 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -141.06 -60.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -162.19 135.73 6.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -172.89 78.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.8 p -87.99 99.08 11.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 110.431 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -50.89 172.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -156.36 94.64 1.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.635 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 58.85 86.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.487 ' O ' ' CB ' ' A' ' 17' ' ' ARG . 5.6 mm-40 -85.87 -172.84 4.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.487 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 0.5 OUTLIER 82.95 121.09 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.329 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 124.22 8.48 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.498 1.789 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -146.11 17.95 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.18 26.05 2.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -123.19 -74.7 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.46 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.73 -50.51 5.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.52 -53.21 15.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.43 -59.71 1.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 67.3 mt -41.1 -54.87 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -64.28 -43.39 94.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.458 ' O ' HD12 ' A' ' 31' ' ' ILE . 10.3 mt -52.48 -62.02 1.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.95 -31.08 38.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -73.58 -34.51 65.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 55.9 mtp -81.53 -41.89 20.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 111.037 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.458 HD12 ' O ' ' A' ' 27' ' ' LEU . 2.2 mt -58.25 -46.63 88.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.5 t -52.78 -52.0 58.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.002 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.19 -44.1 52.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -99.28 71.27 1.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.59 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -124.94 173.61 8.53 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -158.1 163.98 37.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.88 -51.19 31.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -47.33 -62.47 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.496 ' O ' HG23 ' A' ' 43' ' ' VAL . 71.5 t80 -57.54 -41.19 80.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -56.97 -56.29 23.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.75 -35.48 68.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.444 ' HB3' HD21 ' A' ' 61' ' ' LEU . 29.0 mttt -64.83 -53.21 50.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 39' ' ' PHE . 50.4 t -42.77 -57.98 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -52.41 -48.79 65.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.631 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -49.74 -40.87 42.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 110.289 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.664 HD22 ' CD1' ' A' ' 75' ' ' LEU . 13.3 mt -63.81 -44.64 92.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 51' ' ' GLY . 12.1 mt -61.98 -58.5 7.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.23 -42.08 66.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.631 HD12 ' O ' ' A' ' 45' ' ' GLN . 27.2 mt -64.38 -69.69 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.487 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 32.8 p -86.52 -69.59 0.66 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.406 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.487 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 111.94 24.08 5.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.551 ' HG3' HD22 ' A' ' 75' ' ' LEU . 19.3 mmtt -78.55 167.36 21.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -48.54 119.13 2.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.435 ' CB ' HD11 ' A' ' 47' ' ' ILE . 50.8 tt0 -38.75 -55.95 1.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -46.69 -49.29 19.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.36 -48.5 81.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.267 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 59.2 m -56.92 -54.27 48.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 108.343 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.472 HG13 ' CE2' ' A' ' 39' ' ' PHE . 79.3 t -52.89 -31.96 17.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' ALA . 26.5 mt -77.64 -70.32 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' ILE . . . -40.03 -47.24 2.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 67' ' ' ASP . 5.8 tp -46.98 -66.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 63' ' ' ASP . 2.4 t-80 -62.6 -52.39 63.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 109.589 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' HIS . 0.7 OUTLIER -40.15 -45.73 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -70.67 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 108.284 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.6 t30 176.68 38.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.421 ' C ' ' CD1' ' A' ' 61' ' ' LEU . . . 58.87 14.84 25.14 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 111.029 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.497 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -99.24 140.97 32.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.76 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.44 HG22 ' HG ' ' A' ' 46' ' ' LEU . 3.1 t -73.87 -45.56 49.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -61.55 -61.85 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -45.94 -38.09 7.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.246 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.574 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -66.13 -55.51 16.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.627 HD11 HD13 ' A' ' 49' ' ' ILE . 9.7 mt -46.18 -35.19 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.49 -41.34 94.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 71' ' ' ALA . 59.7 t -83.86 -50.91 14.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.664 ' CD1' HD22 ' A' ' 46' ' ' LEU . 7.6 mt -45.03 -54.12 6.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.7 mt -65.66 -60.7 2.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 41.26 33.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -105.49 68.26 0.25 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -98.92 145.23 29.61 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -57.84 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.473 1.775 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -162.42 77.41 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -56.31 144.39 30.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.376 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -62.46 -68.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.588 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.56 167.59 18.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.985 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -126.25 160.02 31.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 108.046 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.94 170.59 13.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -96.26 49.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 74.5 t -47.5 -52.81 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -172.08 85.05 0.08 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.85 140.42 53.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.764 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -154.37 175.42 13.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.89 -71.15 0.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 127.46 130.94 3.41 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.1 p -171.32 143.67 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.447 0.734 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.95 149.34 47.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.37 103.48 0.35 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.138 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.42 151.53 2.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.32 86.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.2 t -54.86 -65.25 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.007 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -103.42 157.31 17.67 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -60.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.529 1.805 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.3 p -104.37 143.69 32.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.6 m -152.38 161.68 42.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.99 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 m -128.22 103.13 7.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.0 p -135.91 140.76 44.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.989 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.29 -167.43 12.33 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.37 -58.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 0.795 . . . . 0.0 110.025 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.1 p -132.43 130.52 40.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.4 -98.27 0.04 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -172.08 163.74 6.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 0.767 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 57.56 76.28 0.33 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -91.63 -55.23 3.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 47.02 75.21 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.2 p -54.71 124.07 15.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.403 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 62.95 124.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -52.64 -63.53 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.637 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.71 -65.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 58.59 94.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -46.77 142.01 5.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -177.84 3.74 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.738 ' HG3' HD12 ' A' ' 27' ' ' LEU . 30.0 tt0 39.08 72.04 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.67 -48.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.354 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.2 p -74.74 -164.18 0.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.512 ' HA ' HD12 ' A' ' 25' ' ' ILE . . . -41.08 -32.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.72 -54.53 32.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.443 ' OE1' ' HB2' ' A' ' 28' ' ' ALA . 1.3 tm0? -41.54 -59.58 1.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 22' ' ' ALA . 9.0 mt -41.14 -59.26 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -60.71 -44.46 96.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.738 HD12 ' HG3' ' A' ' 19' ' ' GLN . 10.3 mt -53.29 -62.9 1.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.443 ' HB2' ' OE1' ' A' ' 24' ' ' GLN . . . -48.6 -34.91 12.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -72.52 -32.52 66.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.43 ' N ' ' O ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -81.86 -40.26 22.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.995 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.445 HD12 ' C ' ' A' ' 27' ' ' LEU . 2.2 mt -60.05 -41.09 85.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.3 t -52.85 -52.65 56.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.34 -43.01 22.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -111.2 73.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.595 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -115.67 165.25 13.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.49 157.0 45.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.9 -33.58 64.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -52.27 -71.69 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.54 ' CE2' ' CG2' ' A' ' 43' ' ' VAL . 71.1 t80 -55.15 -48.96 72.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 111.039 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.97 -61.84 1.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.9 -47.14 32.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.769 ' HB3' HG23 ' A' ' 68' ' ' VAL . 17.0 mttt -54.71 -52.84 61.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.569 HG21 HG22 ' A' ' 58' ' ' VAL . 39.0 t -47.25 -56.89 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -52.91 -47.92 67.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.492 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 2.0 mm-40 -50.91 -38.89 52.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.665 HD22 ' CD1' ' A' ' 75' ' ' LEU . 12.8 mt -65.91 -47.3 75.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.53 HD11 ' HG3' ' A' ' 54' ' ' GLN . 18.8 mt -63.26 -48.15 88.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.31 -40.02 96.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 45' ' ' GLN . 44.0 mt -70.59 -69.9 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.48 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 33.5 p -85.92 -70.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.372 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.48 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 108.66 25.89 5.54 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.545 ' HB2' HD22 ' A' ' 75' ' ' LEU . 12.2 mmtt -77.22 173.15 12.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.751 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -46.59 115.68 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.53 ' HG3' HD11 ' A' ' 47' ' ' ILE . 26.7 tt0 -38.47 -58.04 1.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.606 ' O ' HD12 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -47.26 -60.76 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 60' ' ' ALA . 17.7 mm-40 -45.12 -45.34 11.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 66.5 m -56.77 -55.55 32.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 108.336 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.569 HG22 HG21 ' A' ' 43' ' ' VAL . 41.7 t -51.28 -46.58 33.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.606 HD12 ' O ' ' A' ' 55' ' ' ASP . 3.5 mt -64.82 -71.13 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 56' ' ' GLU . . . -40.47 -48.69 2.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 66' ' ' GLY . 8.8 tp -46.44 -65.3 0.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.148 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' ASP . 2.5 t-80 -62.29 -53.83 49.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.599 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' HIS . 1.4 t0 -39.63 -52.22 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -62.84 -69.43 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 108.305 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 t30 171.07 41.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . 55.8 17.53 15.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.095 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.97 124.43 46.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.769 HG23 ' HB3' ' A' ' 42' ' ' LYS . 3.1 t -61.8 -37.37 77.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.527 ' HA ' HD12 ' A' ' 72' ' ' ILE . 1.1 m120 -68.24 -65.17 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.4 ' O ' ' SG ' ' A' ' 64' ' ' CYS . 7.4 mmt180 -44.94 -38.19 4.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -62.51 -54.42 40.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.564 ' CG2' HD12 ' A' ' 76' ' ' LEU . 7.3 mt -41.17 -47.77 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -49.04 -46.64 44.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 71' ' ' ALA . 46.9 t -77.18 -52.79 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.665 ' CD1' HD22 ' A' ' 46' ' ' LEU . 9.1 mt -47.36 -65.07 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.564 HD12 ' CG2' ' A' ' 72' ' ' ILE . 31.5 mt -43.99 -66.06 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 52.68 73.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.03 162.21 29.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 29.4 m120 62.51 138.48 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -45.85 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -175.17 83.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 83' ' ' HIS . 4.2 t -112.07 -50.05 2.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.42 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.427 ' N ' HG23 ' A' ' 82' ' ' THR . 1.1 p80 -132.73 173.27 11.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.56 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.6 t -178.17 169.88 1.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.011 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -143.47 146.84 33.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 108.037 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -71.05 127.1 31.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.624 ' O ' HG23 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -47.35 -36.02 8.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 87' ' ' MET . 45.6 t -158.59 -66.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 136.75 -110.13 0.77 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.18 -63.75 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.2 178.77 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.69 173.22 11.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.71 175.37 54.97 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.5 t -138.22 -57.1 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.576 0.809 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 69.6 p -174.68 169.71 3.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -127.41 -156.04 8.99 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.48 1.113 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -131.98 152.4 51.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 0.744 . . . . 0.0 110.255 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.19 144.92 39.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.32 152.33 4.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.011 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -161.62 96.16 0.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -179.8 5.33 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.529 1.805 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.7 t -95.86 -66.12 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.041 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 28.1 t -132.23 155.5 48.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.05 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -50.41 -52.94 33.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 0.742 . . . . 0.0 110.011 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 m -136.57 -59.8 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.984 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.88 -64.94 0.35 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 m 60.84 92.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.9 165.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.38 -143.93 7.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -91.41 149.97 21.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.751 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 65.17 134.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -162.71 170.67 18.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 73.01 -58.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.0 m -69.43 -61.67 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.421 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.37 169.35 11.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.85 -48.07 3.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.552 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -177.77 -45.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.85 103.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -134.36 156.87 78.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -77.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.526 1.803 . . . . 0.0 111.038 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.693 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER 67.6 144.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 19' ' ' GLN . . . 83.54 -51.56 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.443 HG22 ' N ' ' A' ' 22' ' ' ALA . 27.6 m -64.73 -102.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.454 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.459 ' HA ' HD12 ' A' ' 25' ' ' ILE . . . -66.69 -49.39 66.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.463 ' CB ' ' HA ' ' A' ' 19' ' ' GLN . 2.3 tp10 -39.43 -58.72 1.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.415 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 2.8 tt0 -53.79 -52.34 60.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' ' 22' ' ' ALA . 96.7 mt -44.45 -53.03 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 30' ' ' MET . 2.2 mtt180 -65.33 -43.1 92.04 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.575 ' O ' HD12 ' A' ' 31' ' ' ILE . 10.8 mt -56.67 -50.96 70.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.55 -37.29 86.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -68.61 -33.37 73.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.323 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' ARG . 6.7 mtm -83.45 -42.99 16.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.575 HD12 ' O ' ' A' ' 27' ' ' LEU . 4.5 mt -51.56 -51.46 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.3 t -45.91 -51.66 12.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.0 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -42.66 75.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -109.64 88.51 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.587 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.446 ' ND2' ' CG ' ' A' ' 39' ' ' PHE . 34.1 t-20 -162.92 -69.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 169.05 177.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.09 -36.08 27.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -48.9 -60.78 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.739 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 55.6 t80 -52.4 -41.67 63.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -55.99 -56.81 16.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.69 -40.58 63.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.335 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.685 ' HB3' HG23 ' A' ' 68' ' ' VAL . 27.1 mttt -60.33 -54.57 44.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.62 ' CG2' HG22 ' A' ' 58' ' ' VAL . 42.4 t -44.57 -54.57 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -54.4 -47.34 72.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.421 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 1.0 OUTLIER -52.27 -39.23 60.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.579 HD22 ' CD1' ' A' ' 75' ' ' LEU . 12.8 mt -64.43 -45.08 89.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.425 HD11 ' HG3' ' A' ' 54' ' ' GLN . 26.8 mt -64.94 -41.38 91.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.82 -36.01 72.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.421 ' CG1' ' O ' ' A' ' 45' ' ' GLN . 47.4 mt -75.58 -69.93 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.494 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 37.1 p -80.49 -73.49 0.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.359 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.494 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 111.35 27.25 4.25 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.625 ' HG3' HD22 ' A' ' 75' ' ' LEU . 17.8 mmtt -84.22 175.48 9.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.76 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -54.06 119.31 4.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.425 ' HG3' HD11 ' A' ' 47' ' ' ILE . 42.5 tt0 -38.71 -60.58 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -44.31 -50.97 8.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 59' ' ' ILE . 7.0 mm-40 -59.24 -45.93 89.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 110.339 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 87.8 m -55.62 -52.26 64.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 108.317 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.739 HG13 ' CZ ' ' A' ' 39' ' ' PHE . 77.7 t -58.19 -34.72 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 56' ' ' GLU . 52.6 mt -66.43 -58.52 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.62 -49.13 71.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.574 HD21 ' CB ' ' A' ' 42' ' ' LYS . 5.5 tp -48.55 -61.77 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -59.96 -55.02 39.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.584 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -40.77 -52.44 2.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 0.5 OUTLIER -65.24 -69.56 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 108.333 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 2.8 m-20 155.66 69.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 65' ' ' ASN . . . 37.34 31.02 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.463 ' CB ' ' HG3' ' A' ' 70' ' ' ARG . 0.2 OUTLIER -111.64 110.75 21.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.685 HG23 ' HB3' ' A' ' 42' ' ' LYS . 3.1 t -59.38 -39.69 79.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -65.19 -61.78 1.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.463 ' HG3' ' CB ' ' A' ' 67' ' ' ASP . 13.1 mmt180 -48.74 -41.15 31.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.422 ' HB2' ' HA ' ' A' ' 61' ' ' LEU . . . -58.78 -51.06 71.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.457 HG13 ' CD2' ' A' ' 46' ' ' LEU . 10.1 mt -51.76 -37.71 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.87 -24.5 67.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.417 HG21 ' SG ' ' A' ' 64' ' ' CYS . 57.9 t -95.34 -51.1 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.625 HD22 ' HG3' ' A' ' 52' ' ' LYS . 6.9 mt -49.08 -50.46 36.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.4 mt -60.62 -64.42 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.138 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 41.32 42.62 1.85 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 110.262 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.7 -118.07 4.14 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.44 1.088 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -127.16 148.16 64.84 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.456 0.739 . . . . 0.0 109.307 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -58.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -145.03 22.13 1.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.4 m 63.84 80.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 0.0 110.405 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.532 ' O ' ' CG ' ' A' ' 83' ' ' HIS . 1.1 p80 -65.35 107.01 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.61 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 49.9 m 39.8 78.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.956 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER 61.78 158.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 108.037 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -87.17 128.16 35.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.34 137.0 16.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.8 p -91.55 140.98 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -73.89 -179.49 39.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.8 -64.18 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 109.264 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -75.78 68.48 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.87 123.78 26.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 143.62 175.23 16.53 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.2 p -71.97 150.04 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.444 0.732 . . . . 0.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.9 t -81.06 -58.78 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.993 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 147.51 -157.97 27.56 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -179.55 154.71 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 0.725 . . . . 0.0 110.331 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 65.77 139.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.06 150.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.038 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -154.71 71.9 0.27 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -54.57 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.53 1.805 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.9 t -40.97 132.97 2.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.01 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 21.1 t -128.44 109.71 11.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 m 63.64 105.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 0.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -164.31 130.54 3.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.99 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.16 70.3 0.16 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.38 139.69 24.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 0.8 . . . . 0.0 110.005 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.15 87.9 7.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.22 -142.79 14.18 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.119 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -126.9 91.26 3.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 0.754 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 50.3 98.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -79.12 97.45 6.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -172.12 82.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.128 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.2 m -96.61 111.16 23.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.388 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -96.91 126.67 42.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.347 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -132.2 90.4 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.632 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt 68.71 77.39 0.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -40.45 133.8 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.36 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -107.98 155.01 40.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.348 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -168.0 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.802 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.667 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 1.6 tt0 50.79 91.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.589 1.181 . . . . 0.0 110.331 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 19' ' ' GLN . . . 165.48 -33.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.417 HG22 ' N ' ' A' ' 22' ' ' ALA . 18.4 m -80.78 -97.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.132 . . . . 0.0 110.329 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.417 ' N ' HG22 ' A' ' 21' ' ' THR . . . -69.34 -35.5 75.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -52.82 -56.78 13.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -43.35 -57.42 3.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 25.2 mt -43.2 -55.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 30' ' ' MET . 0.0 OUTLIER -63.03 -41.57 99.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.289 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.476 ' C ' HD12 ' A' ' 31' ' ' ILE . 10.2 mt -53.27 -62.31 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.19 -27.73 23.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -77.81 -33.53 52.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.405 ' N ' ' O ' ' A' ' 26' ' ' ARG . 30.0 mtt -83.82 -39.93 19.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.476 HD12 ' C ' ' A' ' 27' ' ' LEU . 2.7 mt -55.59 -60.38 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.8 t -41.04 -58.9 1.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 109.968 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.7 -58.9 4.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -45.6 -57.72 3.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.594 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -46.95 169.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.73 -177.91 3.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.4 -44.74 80.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -42.7 -59.09 2.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.68 ' CE2' ' CG2' ' A' ' 43' ' ' VAL . 69.4 t80 -58.28 -43.54 88.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -51.23 -58.66 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.39 -30.68 41.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.592 ' HD3' HG23 ' A' ' 68' ' ' VAL . 48.6 mttt -73.47 -51.1 18.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.68 ' CG2' ' CE2' ' A' ' 39' ' ' PHE . 73.7 t -46.97 -52.89 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.246 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -56.1 -41.66 75.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.594 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -57.33 -37.23 72.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.543 HD22 HD12 ' A' ' 75' ' ' LEU . 14.0 mt -64.15 -43.17 96.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.473 HD11 ' CB ' ' A' ' 54' ' ' GLN . 12.6 mt -62.76 -59.56 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.12 -41.25 64.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.594 HD12 ' O ' ' A' ' 45' ' ' GLN . 35.0 mt -64.96 -69.67 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.486 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 32.0 p -86.3 -69.43 0.67 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.486 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 112.41 24.06 5.2 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.511 ' HB2' HD22 ' A' ' 75' ' ' LEU . 10.4 mmtt -78.6 -178.32 5.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.77 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -61.83 119.45 8.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.473 ' CB ' HD11 ' A' ' 47' ' ' ILE . 21.0 tt0 -39.67 -58.11 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -46.96 -54.69 9.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.772 ' HA ' HD12 ' A' ' 59' ' ' ILE . 7.0 mm-40 -53.06 -43.39 66.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.5 m -57.63 -53.26 60.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 108.296 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.485 HG13 ' CE2' ' A' ' 39' ' ' PHE . 69.5 t -50.96 -44.97 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.772 HD12 ' HA ' ' A' ' 56' ' ' GLU . 9.9 mt -56.91 -63.25 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.5 -64.17 0.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.502 HD21 ' CB ' ' A' ' 42' ' ' LYS . 15.8 tp -45.27 -60.62 2.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -49.1 -52.18 27.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.593 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -55.49 -50.44 69.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 36.4 m -62.87 -20.14 64.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 108.317 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 48.2 t30 81.84 59.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.27 39.09 95.79 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.472 ' C ' HD12 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -110.53 102.43 11.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 0.726 . . . . 0.0 109.263 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.592 HG23 ' HD3' ' A' ' 42' ' ' LYS . 3.5 t -68.44 -31.84 52.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -74.04 -66.6 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.596 ' O ' HG23 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -47.94 -37.48 14.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 67' ' ' ASP . . . -62.4 -46.46 88.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.511 HD12 ' O ' ' A' ' 68' ' ' VAL . 12.7 mt -54.85 -42.33 62.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.93 -40.26 88.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 70' ' ' ARG . 39.5 t -74.4 -56.07 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.543 HD12 HD22 ' A' ' 46' ' ' LEU . 15.3 mt -49.81 -57.98 6.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.437 HD12 HG22 ' A' ' 72' ' ' ILE . 75.0 mt -43.92 -52.04 7.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.58 -60.23 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 64.53 -105.22 1.08 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.463 1.102 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -51.93 132.33 39.14 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 109.338 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 50.51 2.56 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 170.35 39.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.402 HG22 ' H ' ' A' ' 82' ' ' THR . 0.7 OUTLIER -80.0 67.76 5.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.406 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -92.61 166.49 12.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.56 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 83.2 p -116.43 172.33 7.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -176.49 167.9 2.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 108.036 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -102.56 153.29 20.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.45 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 6.0 ttt 78.52 115.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.958 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 89' ' ' GLY . 14.6 p -133.97 -48.4 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.443 ' N ' HG13 ' A' ' 88' ' ' VAL . . . 95.29 133.07 7.17 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.0 pttp -127.14 150.4 49.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.7 175.27 2.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 68.2 165.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 160.8 56.83 0.02 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.469 1.105 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 24.2 t -130.28 -63.31 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.443 0.731 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.0 t 69.18 109.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 173.35 -161.45 32.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.545 1.153 . . . . 0.0 111.03 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -145.09 -63.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt 45.64 92.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.9 m 178.94 -58.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.002 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 68.99 157.29 1.23 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 74.96 3.86 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.532 1.806 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.55 101.55 0.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 28.8 t -93.0 100.36 12.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.003 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 t -89.21 146.08 24.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.788 . . . . 0.0 109.981 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 m -122.61 -58.56 1.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.003 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.36 115.12 0.37 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.23 90.71 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.996 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -178.05 85.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.92 -151.21 22.73 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.533 1.145 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -164.98 122.67 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -143.05 -58.67 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -46.57 147.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -178.07 -55.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -71.51 -63.33 1.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.379 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 62.93 155.79 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.418 ' CD2' ' HG ' ' A' ' 84' ' ' SER . 1.4 t-80 67.99 99.58 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.583 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.0 140.94 42.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -46.53 98.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.334 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.41 146.8 18.69 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.89 136.81 21.15 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 111.038 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.3 tm0? -169.8 143.95 2.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 54.0 -175.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.9 m 61.83 -83.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 0.0 110.408 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.25 -52.91 7.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -45.94 -54.16 8.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -42.85 -59.66 1.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 57.8 mt -45.24 -47.24 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.8 -34.55 75.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 30' ' ' MET . 17.7 mt -63.77 -64.27 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.41 -32.01 10.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -68.32 -33.71 74.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 27' ' ' LEU . 19.7 mtt -83.84 -40.78 18.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.3 mt -59.71 -56.49 16.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.32 -51.55 8.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.974 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.62 -52.38 8.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -95.5 62.68 2.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.601 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -102.56 166.6 10.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.485 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 1.1 m-20 -140.88 164.93 28.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.75 -44.46 66.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -51.44 -66.58 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.52 ' O ' HG23 ' A' ' 43' ' ' VAL . 68.7 t80 -55.72 -39.22 70.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' A' ' 36' ' ' ASP . 8.7 mm-40 -55.02 -57.91 9.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.19 -29.41 45.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.807 ' HD3' HG23 ' A' ' 68' ' ' VAL . 17.0 mttm -73.35 -52.29 14.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 39' ' ' PHE . 75.7 t -44.31 -48.48 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -60.48 -50.67 72.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.48 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 0.6 OUTLIER -49.88 -39.11 38.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.264 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.615 HD11 HD13 ' A' ' 61' ' ' LEU . 19.9 mt -61.55 -42.09 98.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 109.241 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' GLY . 14.3 mt -64.49 -59.99 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.94 -38.98 65.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.48 ' CG1' ' O ' ' A' ' 45' ' ' GLN . 46.8 mt -67.08 -69.56 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.47 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 31.6 p -84.44 -69.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.374 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.47 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 112.2 23.26 5.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 111.045 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.748 ' HB2' HD22 ' A' ' 75' ' ' LEU . 11.8 mmtt -79.46 179.89 7.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -61.92 120.99 11.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.425 ' CB ' HD11 ' A' ' 47' ' ' ILE . 14.4 tt0 -38.91 -60.19 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.35 -58.05 2.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.414 ' HA ' HD12 ' A' ' 59' ' ' ILE . 5.1 mm-40 -48.47 -45.29 36.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 85.0 m -56.7 -52.55 64.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 108.325 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 79.9 t -52.49 -42.89 40.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 56' ' ' GLU . 7.7 mt -63.45 -55.34 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.88 -66.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.615 HD13 HD11 ' A' ' 46' ' ' LEU . 15.6 tp -44.25 -59.38 2.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -49.55 -48.36 48.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.607 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -60.29 -48.71 80.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 39.2 m -69.91 -9.05 53.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 108.262 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 61' ' ' LEU . 1.9 m-20 66.99 76.55 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 48.51 47.83 28.77 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.419 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 0.4 OUTLIER -119.47 93.66 4.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.743 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.807 HG23 ' HD3' ' A' ' 42' ' ' LYS . 3.0 t -63.42 -37.47 79.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -66.95 -66.45 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.539 ' O ' HG23 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -50.24 -41.25 49.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 67' ' ' ASP . . . -59.65 -46.92 87.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.468 HG13 ' CD2' ' A' ' 46' ' ' LEU . 13.4 mt -52.92 -41.63 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.27 -38.91 91.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 70' ' ' ARG . 39.6 t -74.27 -56.69 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.748 HD22 ' HB2' ' A' ' 52' ' ' LYS . 10.6 mt -49.9 -54.54 18.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.9 mt -40.49 -63.68 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.76 33.57 1.03 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 42.23 -103.58 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -121.54 145.8 43.67 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.348 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -39.97 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.486 1.782 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -172.3 81.73 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.2 t -53.26 -46.38 69.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.352 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -41.83 134.58 2.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.621 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.418 ' HG ' ' CD2' ' A' ' 14' ' ' HIS . 16.4 m -45.4 163.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.008 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.31 161.67 15.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 108.035 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.68 82.19 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 3.8 ttt -140.98 106.44 5.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 69.5 t -102.0 94.84 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.24 -179.32 34.9 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.45 125.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 0.768 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.38 -65.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.35 113.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -88.14 -140.94 7.23 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.557 1.161 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 6.3 p -152.58 123.46 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.767 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 59.9 p -126.54 148.53 49.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.026 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -63.97 116.54 9.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.471 1.107 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.12 101.79 1.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 110.341 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -113.45 120.69 41.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.76 155.77 39.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.995 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 177.46 96.09 0.1 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 89.46 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.509 1.794 . . . . 0.0 111.048 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.08 162.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.977 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.3 m -163.79 100.08 0.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 O-C-N 124.515 1.135 . . . . 0.0 110.989 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.57 163.71 19.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 109.967 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.6 p -142.61 151.76 41.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.06 98.95 1.64 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 m -149.65 151.65 34.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 110.028 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 p -174.97 134.44 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.957 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.79 160.36 20.27 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.45 108.57 11.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -176.79 85.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -48.13 99.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.98 166.95 21.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.8 m -51.02 101.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.414 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -101.41 120.13 39.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -61.33 113.33 2.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.616 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -110.94 157.35 19.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -137.78 -60.33 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 17' ' ' ARG . 17.4 ttm105 -61.34 136.73 94.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 110.337 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 155.75 43.07 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -139.82 -64.77 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.25 50.39 1.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.65 HG22 ' N ' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -133.07 -78.72 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.41 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.65 ' N ' HG22 ' A' ' 21' ' ' THR . . . -86.18 -38.35 17.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -49.23 -52.8 24.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -45.93 -53.34 10.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.1 mt -50.33 -43.44 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.21 -23.27 59.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.761 ' O ' HD12 ' A' ' 31' ' ' ILE . 12.2 mt -78.05 -42.36 32.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.6 -43.44 84.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -68.22 -16.89 64.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.6 mtt -94.11 -44.63 7.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.761 HD12 ' O ' ' A' ' 27' ' ' LEU . 5.0 mt -62.58 -54.69 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 t -48.86 -46.94 43.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.38 -54.13 4.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -66.94 -68.84 0.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.607 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.67 102.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.15 154.65 24.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.8 -59.85 3.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -42.16 -61.45 1.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.703 ' CE1' ' CG2' ' A' ' 43' ' ' VAL . 53.7 t80 -56.2 -46.08 79.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -50.05 -58.33 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.55 -34.9 59.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.709 ' HB3' HD21 ' A' ' 61' ' ' LEU . 30.6 mttt -69.66 -49.05 57.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 0.0 109.331 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.703 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 93.7 t -46.71 -51.11 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.8 mtpp -58.26 -51.52 69.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.456 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 1.0 OUTLIER -48.33 -37.23 16.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.616 HD22 HD12 ' A' ' 75' ' ' LEU . 18.4 mt -66.14 -46.19 78.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.43 HD11 ' CB ' ' A' ' 54' ' ' GLN . 26.2 mt -64.8 -40.68 89.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.53 -37.13 74.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.576 HD13 HD11 ' A' ' 72' ' ' ILE . 41.1 mt -74.76 -69.9 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.497 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 41.7 p -79.88 -74.94 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.394 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.497 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 112.9 26.58 4.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.651 ' HB2' HD22 ' A' ' 75' ' ' LEU . 11.0 mmtt -82.02 179.4 7.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 0.774 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -58.55 119.44 7.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.445 ' O ' HG23 ' A' ' 58' ' ' VAL . 31.0 tt0 -38.83 -57.03 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.671 ' O ' HD12 ' A' ' 59' ' ' ILE . 60.5 m-20 -45.43 -62.45 1.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -49.02 -42.51 38.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.333 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.485 ' HA ' HD11 ' A' ' 75' ' ' LEU . 85.3 m -59.43 -44.94 92.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.088 . . . . 0.0 108.303 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.507 HG13 ' CE1' ' A' ' 39' ' ' PHE . 98.3 t -60.17 -53.16 52.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.671 HD12 ' O ' ' A' ' 55' ' ' ASP . 2.7 mp -55.56 -55.8 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.82 -66.39 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.709 HD21 ' HB3' ' A' ' 42' ' ' LYS . 13.1 tp -41.34 -57.78 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -53.04 -49.4 66.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.593 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -57.46 -50.7 72.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.351 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 73.5 m -65.15 -16.31 63.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 108.354 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 11.3 t-20 81.49 74.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 44.57 41.22 6.78 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.495 ' O ' ' HB2' ' A' ' 71' ' ' ALA . 1.3 t70 -115.7 108.67 16.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.541 HG22 ' HG ' ' A' ' 46' ' ' LEU . 2.7 t -74.51 -38.61 46.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -63.93 -66.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -49.98 -34.51 21.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 110.342 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 67' ' ' ASP . . . -64.98 -58.23 6.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.576 HD11 HD13 ' A' ' 49' ' ' ILE . 11.6 mt -40.27 -38.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -63.86 -51.76 63.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' ALA . 39.7 t -66.93 -56.36 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.651 HD22 ' HB2' ' A' ' 52' ' ' LYS . 8.6 mt -46.18 -58.29 3.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.431 HD12 HG22 ' A' ' 72' ' ' ILE . 48.3 mt -47.34 -61.66 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -120.99 -80.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 172.67 -149.06 11.07 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -94.39 123.43 58.6 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 109.346 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 66.35 6.05 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 44.92 85.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 m -111.9 -62.93 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.379 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -47.75 138.62 8.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 109.601 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.8 p -89.75 118.99 29.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.003 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 19.5 m95 -154.08 160.07 41.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 108.014 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 61.72 167.07 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -146.86 -168.11 2.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.402 ' O ' HG13 ' A' ' 88' ' ' VAL . 7.8 p -59.23 120.6 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.142 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 171.62 71.06 0.04 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.49 174.98 5.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 65.21 80.89 0.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -168.6 69.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -149.48 -115.94 0.79 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.8 t -79.76 100.34 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 t -168.85 -58.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.941 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 162.38 57.52 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -179.82 122.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -41.37 141.51 0.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.1 p -71.23 113.86 8.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.999 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 86.85 157.27 30.39 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.467 1.105 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 141.07 26.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.18 160.44 14.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.94 -62.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -161.57 -58.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 109.954 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.41 81.46 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.978 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.81 -160.5 8.54 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 m 61.48 101.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 0.796 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 t -92.22 101.47 13.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.988 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.82 149.79 11.95 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -114.79 -55.78 2.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 0.795 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.34 137.53 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -84.38 144.18 28.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.16 156.35 17.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.9 p -72.61 175.41 6.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.425 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -65.93 -61.01 2.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 68.43 133.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.614 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.12 -53.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.44 -71.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 56.73 108.42 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -16.53 20.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.796 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -95.31 51.93 1.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.245 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.22 -48.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 22' ' ' ALA . 62.6 p -60.18 -163.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 110.439 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 21' ' ' THR . . . -40.55 -32.53 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -50.57 -52.81 35.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.35 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.538 ' OE1' HD11 ' A' ' 59' ' ' ILE . 0.7 OUTLIER -49.63 -61.76 1.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.118 . . . . 0.0 110.321 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.3 mt -51.31 -45.8 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -21.81 66.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.754 ' O ' HD12 ' A' ' 31' ' ' ILE . 11.1 mt -82.92 -37.51 24.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.47 -42.17 68.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -65.87 -20.8 66.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.18 -46.62 7.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.754 HD12 ' O ' ' A' ' 27' ' ' LEU . 7.9 mt -59.0 -59.41 3.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.8 p -42.2 -59.92 1.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.991 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -55.78 -58.75 6.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -78.32 89.42 4.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.573 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 1.7 t-20 -174.5 -66.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 35' ' ' ASN . 1.1 m-20 158.29 171.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.36 -34.07 63.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -49.2 -66.99 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CE1' ' CG2' ' A' ' 43' ' ' VAL . 39.5 t80 -50.49 -42.43 54.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -51.73 -58.67 5.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.6 -35.46 54.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.518 ' HD3' HG23 ' A' ' 68' ' ' VAL . 25.0 mttt -66.53 -52.44 45.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.567 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 76.6 t -44.37 -51.27 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -58.22 -44.69 88.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.598 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -56.37 -38.88 72.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.648 HD21 ' HB3' ' A' ' 71' ' ' ALA . 37.5 mt -61.64 -45.48 93.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.471 HD11 ' CB ' ' A' ' 54' ' ' GLN . 13.4 mt -62.02 -57.7 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.1 -43.59 63.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.598 HD12 ' O ' ' A' ' 45' ' ' GLN . 23.1 mt -67.46 -69.89 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.49 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 31.1 p -82.81 -69.85 0.6 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.145 . . . . 0.0 110.454 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.49 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 109.2 19.54 8.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -75.44 164.53 26.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -43.76 119.2 1.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.471 ' CB ' HD11 ' A' ' 47' ' ' ILE . 15.4 tt0 -38.98 -54.54 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.664 ' O ' HD12 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -47.48 -57.18 5.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -49.84 -50.8 44.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.247 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 71.2 m -49.73 -49.27 48.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 108.318 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.6 t -57.1 -55.3 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.664 HD12 ' O ' ' A' ' 55' ' ' ASP . 3.0 mt -54.29 -48.56 67.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.7 -60.69 3.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . 12.1 tp -46.11 -60.99 1.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -53.74 -56.26 18.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.652 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -41.52 -53.32 3.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.41 -68.5 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 108.315 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 t30 168.79 -35.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.34 44.8 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.558 1.161 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.43 108.33 9.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 0.788 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.518 HG23 ' HD3' ' A' ' 42' ' ' LYS . 22.3 t -47.53 -44.14 9.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -58.95 -59.64 5.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -53.4 -48.27 68.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.648 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -54.89 -49.27 71.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.598 HD11 HD13 ' A' ' 49' ' ' ILE . 9.3 mt -51.25 -48.69 32.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.76 -37.58 42.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.0 t -80.43 -53.79 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.524 HD12 HD22 ' A' ' 46' ' ' LEU . 7.7 mt -49.18 -58.22 5.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.475 HD12 HG22 ' A' ' 72' ' ' ILE . 53.9 mt -46.1 -62.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 42.33 81.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -81.04 51.53 4.36 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.8 m-80 -113.7 136.09 22.0 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.439 0.729 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 63.98 6.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.5 1.79 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.7 t70 43.34 79.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.3 p -121.68 179.79 4.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.417 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -47.91 160.37 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.619 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -150.14 179.07 8.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -121.54 148.77 44.05 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -173.41 150.96 1.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -166.41 119.56 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 42.6 t -147.04 146.14 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -59.13 -152.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -138.99 113.16 8.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.333 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.7 mmtm -115.82 146.41 42.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -93.6 125.1 38.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -140.53 -104.72 0.58 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.7 t 60.72 113.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.555 0.797 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 60.1 p -165.37 167.41 17.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.964 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -168.44 117.55 0.73 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -86.33 -62.3 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 110.28 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.6 99.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.7 t -175.44 155.92 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.028 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 164.17 163.3 16.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 169.72 22.01 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.504 1.792 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.04 158.63 16.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.023 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.0 m -126.15 116.05 20.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.133 . . . . 0.0 110.981 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.73 80.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 0.746 . . . . 0.0 110.045 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.4 162.91 40.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.026 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.13 -168.7 12.81 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 m 66.62 107.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -169.67 171.41 7.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.95 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.45 171.42 29.59 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.439 ' HB2' ' CG2' ' A' ' 82' ' ' THR . 35.9 m120 61.35 160.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.402 ' O ' ' CG ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -178.27 66.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -145.4 90.87 2.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -176.9 157.61 1.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 61.8 p -117.38 108.09 15.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.375 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -58.38 130.71 48.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -147.17 106.35 3.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.62 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -159.97 -68.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -134.71 110.32 9.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 60.71 109.49 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 158.02 42.52 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.518 1.799 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.503 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 3.0 pt20 -162.03 67.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 19' ' ' GLN . . . 174.92 -38.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.4 m -73.24 -91.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.378 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.02 -53.38 10.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.96 -56.62 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.09 -61.15 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.4 mt -42.23 -49.47 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -39.09 86.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.483 ' C ' HD12 ' A' ' 31' ' ' ILE . 12.3 mt -58.54 -62.6 1.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.18 -24.01 38.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -78.4 -34.01 48.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -83.57 -40.29 19.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.857 HG21 ' CG1' ' A' ' 58' ' ' VAL . 3.3 mt -57.91 -43.37 84.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.257 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.2 t -49.71 -58.31 5.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.985 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -42.84 -48.57 5.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -106.53 57.67 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.589 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -54.96 -46.55 75.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.4 t0 60.19 153.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.95 -48.29 9.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -49.36 -55.48 12.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.346 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.668 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 47.5 t80 -60.7 -44.18 96.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -52.88 -57.62 9.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -36.72 44.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.638 ' HB3' HG23 ' A' ' 68' ' ' VAL . 35.7 mttp -66.75 -55.77 13.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.519 HG21 HG22 ' A' ' 58' ' ' VAL . 36.0 t -41.28 -52.7 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -56.66 -45.79 81.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.794 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -55.79 -37.14 68.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.685 HD21 ' HB3' ' A' ' 71' ' ' ALA . 48.4 mt -63.91 -45.33 89.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.481 HD11 ' CB ' ' A' ' 54' ' ' GLN . 14.3 mt -61.76 -57.6 11.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.24 -45.12 61.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.858 HD13 HD11 ' A' ' 72' ' ' ILE . 14.0 mt -67.02 -70.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.494 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 30.9 p -82.73 -70.07 0.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.494 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 110.13 17.61 9.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -72.81 161.61 30.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.783 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -42.66 119.72 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.481 ' CB ' HD11 ' A' ' 47' ' ' ILE . 30.8 tt0 -39.25 -53.42 1.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.255 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -50.18 -50.64 48.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.512 ' HA ' HD12 ' A' ' 59' ' ' ILE . 4.1 mm-40 -55.32 -47.6 75.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 62.6 m -53.0 -49.47 66.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 108.273 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.857 ' CG1' HG21 ' A' ' 31' ' ' ILE . 69.4 t -55.74 -49.4 74.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 56' ' ' GLU . 7.9 mt -59.8 -51.68 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.18 -62.25 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.46 HD21 ' CB ' ' A' ' 42' ' ' LYS . 11.4 tp -43.38 -56.74 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -57.08 -51.84 67.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.58 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -40.13 -42.1 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.414 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -79.56 -61.35 2.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 108.28 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.414 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.4 OUTLIER 162.29 -48.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.5 43.48 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.25 98.47 5.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.638 HG23 ' HB3' ' A' ' 42' ' ' LYS . 3.6 t -44.24 -46.29 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -57.3 -60.67 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.437 ' O ' HG23 ' A' ' 74' ' ' VAL . 23.9 mmt85 -53.53 -48.97 68.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.685 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -52.39 -49.9 63.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.858 HD11 HD13 ' A' ' 49' ' ' ILE . 8.8 mt -48.93 -50.62 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -53.32 -35.15 59.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 70' ' ' ARG . 41.9 t -78.11 -55.79 9.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.613 HD12 HD22 ' A' ' 46' ' ' LEU . 6.4 mt -47.74 -58.97 3.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 76.5 mt -44.64 -64.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -46.67 -67.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.267 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 88.13 -75.93 2.0 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -123.16 147.5 52.03 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.433 0.725 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -40.64 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.438 1.757 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -163.86 72.55 0.26 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 82' ' ' THR . 10.2 t -78.7 106.35 10.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.353 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -80.41 61.38 4.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.604 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.41 154.28 35.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -125.83 137.27 53.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 108.008 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -130.0 173.4 10.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.12 128.29 4.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 111.051 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 65.8 t -137.32 149.6 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 169.52 -124.57 1.17 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 62.11 155.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.02 133.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -134.42 166.12 23.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -68.01 -143.51 0.1 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.8 p -135.5 163.69 34.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 0.763 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.7 m -90.37 171.33 9.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -172.18 136.35 3.77 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -152.38 169.69 21.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 0.756 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.08 174.82 9.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 54.5 p -111.18 125.82 54.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 65.34 157.23 0.31 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 170.32 20.67 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.771 . . . . 0.0 111.038 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.71 -61.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.975 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.35 -56.25 4.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.035 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t 63.68 157.48 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 0.753 . . . . 0.0 110.016 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -127.7 99.26 5.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.045 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.41 -117.46 1.44 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.5 p 49.31 94.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 0.76 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -155.58 -71.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.04 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.28 -169.44 22.22 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -124.82 115.89 21.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -147.63 -50.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.333 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 58.74 -156.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 74.97 145.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.35 153.86 42.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.39 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.4 tm0? -107.26 -75.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -176.74 150.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.562 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.36 125.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -78.89 65.43 4.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.44 ' CG ' ' HD2' ' A' ' 18' ' ' PRO . 4.8 ttt85 63.03 139.76 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 17' ' ' ARG . 18.3 Cg_endo -74.98 165.01 32.23 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.435 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 1.3 tt0 81.43 -54.7 0.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.44 58.67 1.02 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.3 p -143.58 -141.91 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.42 -29.21 33.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -67.57 -47.23 70.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.429 ' HG3' HG21 ' A' ' 59' ' ' ILE . 1.1 tt0 -60.27 -49.31 78.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.262 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.6 mt -51.35 -37.45 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.54 -42.4 22.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.517 ' O ' HD12 ' A' ' 31' ' ' ILE . 23.6 mt -60.96 -53.93 51.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.43 -28.25 63.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -78.68 -33.16 47.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.5 mtm -81.54 -41.45 21.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.517 HD12 ' O ' ' A' ' 27' ' ' LEU . 2.6 mt -60.43 -49.89 82.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.8 m -50.08 -60.47 2.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.968 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -44.71 -48.25 10.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -97.05 60.06 1.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.567 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -87.63 141.17 28.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.17 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -123.78 159.5 29.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.55 -57.73 11.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -42.21 -65.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.692 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 56.1 t80 -53.4 -42.91 67.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -54.24 -57.5 10.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -50.46 -38.65 44.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.289 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.636 ' HB3' HG23 ' A' ' 68' ' ' VAL . 29.2 mttm -62.1 -58.32 8.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.622 ' CG2' HG22 ' A' ' 58' ' ' VAL . 54.9 t -40.44 -55.82 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -53.61 -47.81 69.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.699 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -52.01 -40.57 61.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.352 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.725 HD22 ' CD1' ' A' ' 75' ' ' LEU . 21.1 mt -64.57 -52.41 57.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.433 HD11 ' CB ' ' A' ' 54' ' ' GLN . 17.3 mt -58.4 -35.76 55.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.53 -48.19 56.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.699 HD12 ' O ' ' A' ' 45' ' ' GLN . 7.4 mt -68.83 -70.34 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 43.8 p -74.38 -80.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.521 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 114.8 29.39 2.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt -86.64 175.98 8.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -56.08 119.65 6.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.433 ' CB ' HD11 ' A' ' 47' ' ' ILE . 34.2 tt0 -38.97 -55.2 1.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.473 ' O ' HD12 ' A' ' 59' ' ' ILE . 1.6 m-20 -45.77 -50.87 13.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.35 -52.97 61.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 56.3 m -51.63 -49.83 61.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 108.283 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.692 HG13 ' CZ ' ' A' ' 39' ' ' PHE . 73.3 t -59.57 -46.83 92.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.473 HD12 ' O ' ' A' ' 55' ' ' ASP . 15.9 mt -59.2 -57.29 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.68 -52.72 59.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.486 HD23 ' CE1' ' A' ' 39' ' ' PHE . 17.6 tp -41.61 -56.94 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -67.88 -52.67 33.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.645 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -41.33 -51.92 3.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -64.3 -71.16 0.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 108.277 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 67' ' ' ASP . 23.6 t30 168.73 60.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 37.73 30.55 0.07 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.426 1.079 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' ASN . 0.1 OUTLIER -114.5 125.14 53.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 0.747 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.636 HG23 ' HB3' ' A' ' 42' ' ' LYS . 4.5 t -63.84 -44.13 98.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -62.17 -63.27 1.3 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -46.55 -38.58 9.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.513 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -63.12 -58.59 6.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.557 HD11 HD13 ' A' ' 49' ' ' ILE . 7.5 mt -39.81 -43.64 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.82 -51.99 52.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 71' ' ' ALA . 60.1 t -74.39 -52.72 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.725 ' CD1' HD22 ' A' ' 46' ' ' LEU . 5.1 mt -42.49 -55.22 3.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 36.3 mt -46.33 -64.09 0.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -118.13 -95.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 165.72 -118.31 0.8 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.094 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -138.41 131.56 16.31 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.477 0.751 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 81' ' ' ASP . 18.3 Cg_endo -74.98 63.03 5.95 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 80' ' ' PRO . 0.3 OUTLIER 82.09 -52.94 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.1 t 39.02 41.58 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 110.377 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -132.83 174.48 10.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 109.641 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.1 t -120.6 -151.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -116.56 147.77 41.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 107.987 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -96.58 -96.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.8 72.19 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 1.8 p -111.81 150.86 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -71.11 69.9 0.81 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -46.85 141.12 4.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 0.776 . . . . 0.0 109.347 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -142.25 66.79 1.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.12 172.11 14.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -146.74 -106.51 0.47 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.13 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.0 t -142.69 102.29 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 0.738 . . . . 0.0 109.286 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 m -157.77 145.3 18.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -142.96 -153.95 6.01 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.501 1.125 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -140.76 120.96 13.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.42 109.91 16.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.4 p -146.59 163.48 35.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 112.86 94.96 2.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.146 . . . . 0.0 111.04 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 58.61 4.95 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.484 1.781 . . . . 0.0 110.997 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.6 t 50.19 84.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.977 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.0 m -80.66 133.8 35.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.974 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 179.963 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.1 p -95.86 106.87 19.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 110.021 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -58.76 -58.38 8.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.026 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.65 138.82 10.71 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.5 156.44 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 0.765 . . . . 0.0 109.992 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.53 155.16 44.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.58 125.95 0.15 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.452 1.095 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -156.01 166.82 32.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -112.66 96.92 6.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 57.45 162.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -49.14 -58.61 4.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.8 m -120.61 -61.1 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.414 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -154.07 -59.58 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.265 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -101.98 167.6 9.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 0.0 109.589 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -94.36 124.28 38.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.248 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -66.51 -56.84 8.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -43.09 111.05 0.98 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.347 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 176.48 9.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.573 ' HG2' HD11 ' A' ' 27' ' ' LEU . 1.9 mt-30 58.05 108.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 110.236 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 19' ' ' GLN . . . 178.75 -165.8 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 24' ' ' GLN . 65.5 p 41.57 -136.88 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.36 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.19 -39.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.422 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -58.87 -49.86 76.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 21' ' ' THR . 0.9 OUTLIER -55.74 -57.54 11.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.1 mt -44.85 -45.09 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 30' ' ' MET . 0.7 OUTLIER -72.24 -43.81 63.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.573 HD11 ' HG2' ' A' ' 19' ' ' GLN . 13.8 mt -52.11 -58.75 5.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.55 -31.31 56.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -75.89 -32.77 59.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 26' ' ' ARG . 3.6 ttp -82.04 -40.11 22.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.513 HD12 ' O ' ' A' ' 27' ' ' LEU . 2.6 mt -61.2 -59.89 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 55.3 p -40.26 -56.09 2.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.019 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.91 -48.12 8.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -104.66 78.58 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.594 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -113.99 168.55 9.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -131.9 160.52 35.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.47 -50.1 74.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -47.71 -65.69 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.636 ' CE1' HD23 ' A' ' 61' ' ' LEU . 24.4 t80 -55.65 -42.69 75.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -56.21 -56.55 19.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.26 -29.48 58.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.448 ' HB3' ' CG2' ' A' ' 68' ' ' VAL . 72.2 mttt -76.98 -59.24 2.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.915 HG11 HG22 ' A' ' 58' ' ' VAL . 71.9 t -44.81 -41.12 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.944 ' HA ' HD12 ' A' ' 47' ' ' ILE . 20.2 tttt -70.17 -38.96 75.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.698 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -60.19 -32.15 70.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.336 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.576 HD22 ' CD1' ' A' ' 75' ' ' LEU . 10.4 mt -66.4 -34.13 77.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.944 HD12 ' HA ' ' A' ' 44' ' ' LYS . 22.0 mt -64.11 -59.79 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.32 -34.86 66.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.698 HD12 ' O ' ' A' ' 45' ' ' GLN . 26.1 mt -71.7 -69.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 29.3 p -78.64 -70.08 0.52 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.504 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 113.69 18.32 7.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -84.01 -178.8 7.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.338 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -66.02 114.69 5.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.763 ' CG ' HD11 ' A' ' 47' ' ' ILE . 36.0 tt0 -38.36 -58.83 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.49 -50.57 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.685 ' HA ' HD12 ' A' ' 59' ' ' ILE . 4.6 mm-40 -60.2 -41.87 93.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 54' ' ' GLN . 93.8 m -57.51 -39.0 75.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 108.288 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.915 HG22 HG11 ' A' ' 43' ' ' VAL . 65.7 t -63.04 -32.82 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 56' ' ' GLU . 20.4 mt -75.78 -58.15 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.07 -50.68 63.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.636 HD23 ' CE1' ' A' ' 39' ' ' PHE . 11.3 tp -53.87 -66.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -49.86 -61.26 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.6 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -41.3 -53.15 3.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 0.8 OUTLIER -55.0 -69.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 108.265 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 7.1 m-20 156.7 45.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.13 16.04 52.14 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.496 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -96.19 121.99 38.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 0.743 . . . . 0.0 109.337 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.448 ' CG2' ' HB3' ' A' ' 42' ' ' LYS . 2.9 t -68.23 -37.43 78.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.445 ' HA ' HD12 ' A' ' 72' ' ' ILE . 2.3 m-80 -67.45 -62.57 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -47.44 -36.36 9.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -60.89 -53.72 53.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.451 HG22 HD12 ' A' ' 76' ' ' LEU . 5.2 mt -44.65 -46.64 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.59 -39.69 58.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' ALA . 48.3 t -81.5 -52.57 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.576 ' CD1' HD22 ' A' ' 46' ' ' LEU . 14.6 mt -48.91 -53.93 17.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.451 HD12 HG22 ' A' ' 72' ' ' ILE . 59.7 mt -56.42 -63.69 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 76' ' ' LEU . 5.9 pt-20 37.45 42.53 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -166.56 77.11 0.13 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.447 1.092 . . . . 0.0 111.029 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -142.22 144.9 33.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 109.327 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -36.59 2.52 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.547 1.814 . . . . 0.0 111.041 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -154.14 -54.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 m 60.15 149.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 110.417 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.21 167.66 15.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.621 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.9 t -108.88 129.1 55.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 6.9 m95 65.34 138.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 107.997 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -167.08 114.32 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.92 120.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.4 p -116.65 155.38 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -116.84 168.76 12.86 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 pttm -167.83 128.98 1.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.11 -63.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.19 140.6 47.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -62.0 165.54 20.47 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.461 1.1 . . . . 0.0 111.045 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.8 p -163.07 154.18 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.8 p -142.47 130.55 21.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.98 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -116.03 176.75 16.64 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -161.73 83.95 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.64 136.73 3.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.7 m -133.14 163.34 29.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 110.017 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -139.51 87.77 0.2 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.565 1.165 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 175.47 11.19 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.67 174.97 11.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.99 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.3 p -153.27 150.17 28.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.044 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.61 97.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 110.017 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.8 p -159.98 139.12 10.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.994 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.78 -140.74 6.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 p -172.38 134.54 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.753 . . . . 0.0 110.003 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t 55.24 92.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 110.004 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.4 88.68 1.7 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 t30 178.76 115.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 0.741 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -128.71 128.27 43.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -97.46 150.07 21.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 52.01 101.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.7 t -93.15 38.98 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.423 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -118.72 165.01 14.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.356 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 75.46 -66.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.631 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.07 -65.41 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.33 164.03 31.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -73.93 146.82 85.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 179.45 6.07 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.71 168.27 11.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 64.08 176.65 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.7 m 65.27 -79.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.391 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.83 -56.7 4.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.46 -56.04 17.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.427 1.079 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -41.16 -58.25 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.3 mt -44.4 -53.65 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -64.67 -32.06 73.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.107 . . . . 0.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.8 mt -68.43 -67.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.33 -22.52 4.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -75.37 -35.4 61.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 44.2 mtm -91.3 -41.25 11.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 23.6 mt -54.32 -37.0 35.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.3 t -57.29 -65.48 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.989 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -46.02 -38.16 7.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -68.4 -173.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.577 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.0 m120 64.15 -173.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -128.65 -166.96 1.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.3 -49.14 72.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.14 -59.6 1.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.448 ' CE2' HG13 ' A' ' 58' ' ' VAL . 84.2 t80 -56.63 -40.55 75.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -58.8 -55.48 34.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.35 -32.98 70.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.35 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.496 ' HB3' HG23 ' A' ' 68' ' ' VAL . 86.6 mttt -69.72 -52.08 28.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.511 ' CG1' HG22 ' A' ' 58' ' ' VAL . 2.9 t -45.41 -52.96 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.82 ' HA ' HD12 ' A' ' 47' ' ' ILE . 6.6 tttt -62.16 -45.53 92.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.688 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -52.9 -34.52 55.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.266 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.657 HD11 HD13 ' A' ' 61' ' ' LEU . 9.9 mt -64.94 -33.97 77.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.82 HD12 ' HA ' ' A' ' 44' ' ' LYS . 30.7 mt -64.04 -59.66 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.27 -33.3 67.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.688 HD12 ' O ' ' A' ' 45' ' ' GLN . 24.9 mt -72.57 -70.03 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.605 HG21 HD13 ' A' ' 75' ' ' LEU . 30.1 p -73.79 -70.11 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.371 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.502 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 116.44 14.71 7.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.811 ' HG3' HD22 ' A' ' 75' ' ' LEU . 5.1 mmtt -79.84 -151.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -99.92 126.0 46.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.528 ' O ' HG23 ' A' ' 58' ' ' VAL . 48.2 tt0 -37.99 -63.94 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.482 ' O ' HD12 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -40.29 -60.87 0.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -52.24 -43.5 64.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 92.0 m -58.69 -41.9 87.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 108.33 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 54' ' ' GLN . 59.0 t -60.4 -51.31 74.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.482 HD12 ' O ' ' A' ' 55' ' ' ASP . 3.2 mt -56.47 -58.89 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.17 -58.32 6.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.657 HD13 HD11 ' A' ' 46' ' ' LEU . 8.6 tp -41.04 -56.99 2.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.09 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 63' ' ' ASP . 2.2 t-80 -62.48 -56.35 18.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.617 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 62' ' ' HIS . 0.3 OUTLIER -39.99 -54.42 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 70' ' ' ARG . 0.2 OUTLIER -57.8 -70.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 108.309 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 167.85 41.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . 60.22 13.87 30.42 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 110.961 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.501 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -97.34 130.99 44.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.744 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.501 HG22 ' HG ' ' A' ' 46' ' ' LEU . 3.3 t -69.32 -44.6 80.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -59.55 -59.66 5.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.404 ' O ' ' SG ' ' A' ' 64' ' ' CYS . 32.0 mmt180 -51.87 -35.86 46.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -63.54 -55.26 25.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.494 HD11 HG21 ' A' ' 49' ' ' ILE . 5.3 mt -47.76 -30.49 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.01 -39.58 90.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 71' ' ' ALA . 57.6 t -85.59 -50.9 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.811 HD22 ' HG3' ' A' ' 52' ' ' LYS . 7.2 mt -47.09 -61.21 1.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.433 HD12 HG22 ' A' ' 72' ' ' ILE . 51.2 mt -40.63 -59.05 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -109.08 61.44 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -119.19 161.07 14.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.125 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.505 ' HB3' HG23 ' A' ' 82' ' ' THR . 85.1 m-20 62.57 133.27 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.752 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 55.74 4.03 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.506 1.792 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 47.13 82.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.505 HG23 ' HB3' ' A' ' 79' ' ' ASN . 38.9 p -84.44 165.4 18.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.397 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.494 ' CG ' ' O ' ' A' ' 82' ' ' THR . 17.2 p80 47.98 64.88 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.602 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.88 171.92 7.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 110.032 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -171.26 88.39 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 108.017 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.06 128.69 13.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.435 ' C ' HG12 ' A' ' 88' ' ' VAL . 0.0 OUTLIER 42.33 87.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.966 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.46 ' O ' HG22 ' A' ' 88' ' ' VAL . 7.7 p 41.94 58.47 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -76.09 -96.78 0.15 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.24 168.66 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 0.803 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.08 -65.3 1.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.4 tptt 74.41 -65.61 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 161.26 122.2 0.61 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.42 1.075 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.8 p -75.29 157.57 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.3 t -149.72 157.22 43.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -156.25 -156.7 7.95 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.53 1.144 . . . . 0.0 111.035 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -124.78 137.36 54.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.757 . . . . 0.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.34 152.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.97 154.63 36.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.982 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -63.26 157.29 40.52 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 165.46 31.26 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.542 1.811 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.41 79.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.0 t -171.92 158.54 4.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.118 . . . . 0.0 111.022 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.53 158.49 31.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 109.982 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 m 62.51 144.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.007 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.32 107.74 3.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.482 1.114 . . . . 0.0 110.956 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.5 p 178.32 141.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 109.997 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.69 -58.21 2.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.038 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.36 -98.32 0.23 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.454 1.097 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 57.9 97.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 0.766 . . . . 0.0 109.257 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -156.02 79.57 0.99 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 110.269 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -44.79 123.24 3.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.71 109.32 4.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.3 m -113.33 142.02 46.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.372 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -112.76 -41.44 3.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -160.94 126.05 3.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.618 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -51.17 128.45 21.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -110.47 92.82 4.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 110.335 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.16 148.58 0.75 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 144.63 30.63 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 111.035 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.401 ' HG3' HD11 ' A' ' 27' ' ' LEU . 4.9 tt0 179.92 175.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.435 ' O ' ' CB ' ' A' ' 23' ' ' GLU . . . 58.91 -157.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.7 p 38.77 -140.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.421 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.915 ' HA ' HD12 ' A' ' 25' ' ' ILE . . . -55.34 -29.92 59.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 1.1 tp10 -55.05 -46.74 75.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.239 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.47 -47.41 66.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.915 HD12 ' HA ' ' A' ' 22' ' ' ALA . 15.2 mt -50.72 -46.18 28.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.35 -34.91 68.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.567 ' O ' HD12 ' A' ' 31' ' ' ILE . 10.0 mt -63.89 -60.24 3.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.52 -18.52 19.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -84.8 -32.45 23.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.254 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -85.19 -39.53 17.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.567 HD12 ' O ' ' A' ' 27' ' ' LEU . 2.7 mt -61.56 -54.1 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.1 t -48.82 -48.99 41.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.02 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -47.4 -34.9 7.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -117.61 78.75 1.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 109.596 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -124.95 175.21 7.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -154.15 149.88 27.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.0 -41.38 34.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -52.09 -65.61 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.723 ' O ' HG23 ' A' ' 43' ' ' VAL . 48.5 t80 -57.15 -42.87 81.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -51.05 -58.88 4.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.94 -39.07 58.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.54 ' HD3' HG23 ' A' ' 68' ' ' VAL . 40.4 mttt -65.24 -48.71 72.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 39' ' ' PHE . 93.9 t -47.55 -51.98 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -57.09 -52.92 63.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.483 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -47.53 -40.43 18.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.342 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.568 HD22 ' CD1' ' A' ' 75' ' ' LEU . 18.4 mt -62.78 -60.72 3.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.734 HD11 ' HA ' ' A' ' 54' ' ' GLN . 10.0 mt -48.07 -27.2 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.9 -35.22 20.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 45' ' ' GLN . 10.3 mt -81.97 -71.93 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.995 HG21 HD13 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -57.07 -83.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.422 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 133.85 -9.34 4.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -65.81 -177.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -78.73 156.53 28.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.734 ' HA ' HD11 ' A' ' 47' ' ' ILE . 26.7 tt0 -55.29 -62.61 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.495 ' O ' HD12 ' A' ' 59' ' ' ILE . 48.3 m-20 -40.18 -42.69 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.431 ' HA ' HD12 ' A' ' 59' ' ' ILE . 3.7 mm-40 -70.83 -48.07 56.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 5.6 m -57.05 -44.65 83.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 108.316 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.47 HG13 ' CE1' ' A' ' 39' ' ' PHE . 88.8 t -59.51 -47.31 91.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.495 HD12 ' O ' ' A' ' 55' ' ' ASP . 18.1 mt -59.73 -47.71 90.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.463 ' CB ' ' HG ' ' A' ' 75' ' ' LEU . . . -57.66 -67.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.532 HD21 ' CB ' ' A' ' 42' ' ' LYS . 12.4 tp -42.65 -57.95 2.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -53.31 -45.36 68.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.565 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -41.76 -51.17 4.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.364 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.435 ' SG ' ' CB ' ' A' ' 70' ' ' ARG . 11.8 t -71.2 -69.43 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 108.306 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.451 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 5.4 p-10 166.88 -31.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 151.94 44.2 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.17 108.9 13.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.54 HG23 ' HD3' ' A' ' 42' ' ' LYS . 3.0 t -55.58 -37.27 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -68.07 -64.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.435 ' CB ' ' SG ' ' A' ' 64' ' ' CYS . 8.0 mmt-85 -49.94 -45.77 51.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.507 ' HB2' ' HA ' ' A' ' 61' ' ' LEU . . . -54.34 -48.0 71.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 68' ' ' VAL . 16.5 mt -53.45 -44.86 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -58.43 -22.92 55.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.782 HG13 ' HA2' ' A' ' 78' ' ' GLY . 83.4 t -89.83 -51.14 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.995 HD13 HG21 ' A' ' 50' ' ' THR . 6.2 mt -52.17 -36.44 51.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.6 mt -80.33 -43.11 21.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -155.53 86.39 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.782 ' HA2' HG13 ' A' ' 74' ' ' VAL . . . -46.51 145.34 3.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -57.25 148.7 51.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 -59.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.494 1.787 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.428 ' C ' HG22 ' A' ' 82' ' ' THR . 1.5 t0 -127.68 -47.44 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.428 HG22 ' C ' ' A' ' 81' ' ' ASP . 2.8 t 40.92 54.29 3.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.436 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 65.49 153.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.627 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.11 159.17 43.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -97.91 159.22 15.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 108.021 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 65.16 163.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.76 82.92 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 43.2 t -144.32 101.95 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -104.85 -97.48 2.48 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 50.52 64.29 1.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.39 150.65 4.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.46 -64.1 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 44.81 73.46 0.27 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 20.0 m -135.29 136.8 50.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.44 -60.26 1.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.001 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.17 160.86 34.79 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -177.31 145.83 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 0.8 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -162.15 141.76 9.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.32 150.01 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.986 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -174.9 86.09 0.08 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.492 1.12 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 177.02 9.14 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.483 1.781 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.27 169.28 24.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.604 1.19 . . . . 0.0 109.961 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 52.7 p -156.43 167.33 30.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 t -84.45 161.01 20.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 0.0 110.006 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.6 p -166.78 140.6 3.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.987 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.88 167.03 34.41 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.467 1.105 . . . . 0.0 111.062 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 t 66.39 123.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.767 . . . . 0.0 110.024 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.26 129.58 55.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.027 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.22 107.57 0.28 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.534 1.147 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.5 m120 60.95 118.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 0.734 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -105.86 -25.95 11.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -76.96 -55.73 5.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -85.04 118.91 24.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -107.78 112.64 25.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.367 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.67 122.62 24.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 62.51 156.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.625 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.9 mttp 65.21 144.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 75.4 -61.98 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.0 148.66 1.13 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 110.328 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.07 19.02 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.773 . . . . 0.0 111.005 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -160.45 117.1 2.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 22' ' ' ALA . . . 58.32 177.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.1 m 63.59 -80.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.416 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.418 ' HA ' HD12 ' A' ' 25' ' ' ILE . . . -81.91 -42.46 19.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -53.27 -57.24 11.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 110.313 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -43.74 -52.77 6.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 22' ' ' ALA . 96.2 mt -44.12 -62.19 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 30' ' ' MET . 1.1 mtt-85 -57.27 -43.72 83.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.245 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.54 ' C ' HD12 ' A' ' 31' ' ' ILE . 10.3 mt -51.06 -62.75 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.12 -33.53 58.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 109.232 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -70.5 -34.32 72.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.253 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 26' ' ' ARG . 1.4 mtm -82.44 -39.23 22.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.54 HD12 ' C ' ' A' ' 27' ' ' LEU . 2.7 mt -59.83 -44.11 93.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.39 -54.52 30.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -42.28 -50.06 4.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -71.23 -76.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.578 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 53.66 89.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.485 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 8.3 t0 -83.8 156.82 22.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.15 -48.55 81.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -51.43 -66.69 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.472 ' HE2' HG13 ' A' ' 58' ' ' VAL . 60.9 t80 -56.62 -37.55 70.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.093 . . . . 0.0 111.009 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' A' ' 36' ' ' ASP . 4.7 mm-40 -56.95 -57.48 12.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 110.333 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.97 -42.72 65.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.251 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.556 ' HB3' HG23 ' A' ' 68' ' ' VAL . 60.1 mttt -61.73 -53.1 60.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.454 ' CG2' ' CE2' ' A' ' 39' ' ' PHE . 11.5 t -45.89 -48.02 5.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 mtpp -61.21 -52.5 64.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.532 ' O ' HD12 ' A' ' 49' ' ' ILE . 1.6 mm-40 -49.44 -39.53 33.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.701 HD11 HD13 ' A' ' 61' ' ' LEU . 8.8 mt -62.37 -62.66 1.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.102 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.775 HD11 ' HA ' ' A' ' 54' ' ' GLN . 12.5 mt -46.69 -30.37 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.68 -37.21 27.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.532 HD12 ' O ' ' A' ' 45' ' ' GLN . 9.6 mt -79.64 -72.22 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.766 HG21 HD13 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -56.4 -83.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.395 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 133.83 -9.11 4.88 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -65.56 -170.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -85.76 160.23 19.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.775 ' HA ' HD11 ' A' ' 47' ' ' ILE . 46.8 tt0 -57.79 -61.71 2.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.21 -48.14 2.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.237 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.454 ' HA ' HD12 ' A' ' 59' ' ' ILE . 1.5 mm-40 -62.71 -52.56 62.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.4 m -54.9 -47.71 73.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 108.325 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.472 HG13 ' HE2' ' A' ' 39' ' ' PHE . 96.5 t -56.01 -49.1 77.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 56' ' ' GLU . 18.6 mt -56.93 -50.19 76.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.87 -63.81 1.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.701 HD13 HD11 ' A' ' 46' ' ' LEU . 12.7 tp -43.22 -59.36 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.599 1.187 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.495 ' CE1' HD11 ' A' ' 31' ' ' ILE . 35.9 t60 -54.71 -61.75 2.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.601 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.46 -48.9 2.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 1.2 m -59.68 -64.46 0.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 108.308 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 3.5 m-20 156.49 -25.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 135.46 44.19 0.1 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.15 111.22 11.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 0.783 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.556 HG23 ' HB3' ' A' ' 42' ' ' LYS . 17.2 t -54.34 -39.93 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -61.58 -61.58 2.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.03 -49.25 51.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -52.83 -55.81 20.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.465 HG12 HG23 ' A' ' 50' ' ' THR . 19.5 mt -45.0 -52.18 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.09 -36.36 13.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 71' ' ' ALA . 48.2 t -82.06 -53.09 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.766 HD13 HG21 ' A' ' 50' ' ' THR . 14.7 mt -49.02 -57.78 5.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.426 HD12 HG22 ' A' ' 72' ' ' ILE . 42.2 mt -42.73 -60.39 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -123.35 -95.59 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 159.54 -113.97 0.59 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 79' ' ' ASN . 0.7 OUTLIER 165.92 118.26 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.472 0.748 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -40.92 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.5 1.79 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.0 t0 175.54 93.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -147.29 148.06 31.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.355 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 57.99 163.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.563 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.3 93.13 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -148.98 154.15 38.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 107.957 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 61.16 162.03 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -153.02 92.49 1.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.501 ' O ' HG13 ' A' ' 88' ' ' VAL . 8.5 p -77.65 113.77 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -147.92 102.72 0.25 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.78 73.83 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -123.07 158.93 29.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -56.01 129.6 40.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.343 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.41 ' O ' HG22 ' A' ' 94' ' ' VAL . . . -139.25 -138.96 3.73 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.464 1.102 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 93' ' ' GLY . 6.6 m 41.1 -160.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.476 0.75 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 50.2 80.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.008 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -179.51 -138.68 3.38 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.11 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -175.09 100.68 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 0.763 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 56.04 77.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.586 1.179 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.48 129.64 54.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.029 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 145.95 -85.55 0.18 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 81.06 2.28 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.465 1.771 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.95 170.61 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.993 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.6 t -74.23 -53.99 8.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.551 1.157 . . . . 0.0 111.016 179.979 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 m -116.06 142.11 47.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.785 . . . . 0.0 109.976 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.3 p -162.06 143.23 10.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.032 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.64 144.97 4.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.137 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.43 89.11 7.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.766 . . . . 0.0 109.986 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.2 p -126.65 137.26 53.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.459 1.099 . . . . 0.0 110.045 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.36 73.13 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -62.02 135.02 57.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.766 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -111.45 93.49 4.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.261 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -93.78 92.38 7.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 39.4 78.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.4 t -164.48 150.88 10.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.373 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -114.49 83.05 1.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -145.12 117.48 8.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.557 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -136.95 -61.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 72.66 -59.75 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 60.06 154.83 0.1 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 147.82 34.43 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -148.26 64.36 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -168.53 178.73 4.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.258 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.8 m 62.58 -86.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.379 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.11 -48.31 10.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -52.89 -55.9 19.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -41.36 -57.73 2.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 74.6 mt -41.21 -57.51 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.27 -40.94 95.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.461 ' C ' HD12 ' A' ' 31' ' ' ILE . 10.4 mt -54.58 -64.42 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.45 -30.48 29.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -74.13 -33.68 63.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 38.2 mtp -83.14 -41.15 18.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.461 HD12 ' C ' ' A' ' 27' ' ' LEU . 2.8 mt -60.23 -42.42 90.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.3 t -53.79 -47.77 70.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -58.42 -41.33 84.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.359 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -114.14 71.83 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.597 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -115.67 148.54 39.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.5 166.94 10.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.364 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.44 -34.55 67.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -53.66 -66.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.43 1.081 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.653 ' CE1' ' CG2' ' A' ' 43' ' ' VAL . 63.8 t80 -54.8 -41.23 70.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -52.45 -58.76 5.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.91 -36.19 59.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.552 ' CB ' HD21 ' A' ' 61' ' ' LEU . 14.1 mttt -66.74 -55.01 16.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.653 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 71.9 t -45.63 -52.17 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -56.48 -50.74 70.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.492 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.4 OUTLIER -50.62 -39.21 49.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.271 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.558 HD22 ' CD1' ' A' ' 75' ' ' LEU . 10.3 mt -63.05 -63.08 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.926 HD11 ' HA ' ' A' ' 54' ' ' GLN . 12.5 mt -48.0 -27.67 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.39 -36.52 24.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.492 HD12 ' O ' ' A' ' 45' ' ' GLN . 10.9 mt -82.24 -72.2 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.693 HG21 HD13 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -57.76 -84.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 137.83 -10.88 3.67 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.13 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.783 ' HG3' HD22 ' A' ' 75' ' ' LEU . 17.4 mmtt -59.39 -171.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -91.25 154.34 19.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.165 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.926 ' HA ' HD11 ' A' ' 47' ' ' ILE . 14.9 tt0 -50.0 -62.52 1.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -41.05 -57.07 2.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.514 ' HA ' HD12 ' A' ' 59' ' ' ILE . 4.0 mm-40 -55.75 -53.97 50.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 68.8 m -52.13 -61.78 2.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 108.321 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.485 HG13 ' CE1' ' A' ' 39' ' ' PHE . 64.5 t -41.68 -49.47 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 56' ' ' GLU . 24.2 mt -56.86 -50.42 75.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.459 ' CB ' ' HG ' ' A' ' 75' ' ' LEU . . . -56.02 -62.35 1.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.552 HD21 ' CB ' ' A' ' 42' ' ' LYS . 12.6 tp -45.78 -59.61 2.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' ASP . 24.2 t60 -51.78 -47.66 64.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.635 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' HIS . 9.1 t0 -40.37 -51.53 2.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.546 1.153 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.467 ' SG ' ' CB ' ' A' ' 70' ' ' ARG . 46.3 t -70.45 -65.82 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 108.302 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 2.3 m-20 158.85 -27.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.86 44.54 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.444 ' HB3' ' CG ' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -125.52 95.84 4.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.475 HG23 ' HB3' ' A' ' 42' ' ' LYS . 3.0 t -44.39 -43.72 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.16 -60.83 3.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.467 ' CB ' ' SG ' ' A' ' 64' ' ' CYS . 19.8 mmt180 -51.6 -48.51 63.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.479 ' HB2' ' HA ' ' A' ' 61' ' ' LEU . . . -48.87 -53.32 19.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.46 HG12 HG23 ' A' ' 50' ' ' THR . 12.1 mt -46.43 -53.59 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -48.93 -31.57 7.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 71' ' ' ALA . 50.2 t -83.64 -53.97 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.783 HD22 ' HG3' ' A' ' 52' ' ' LYS . 4.6 mt -46.66 -57.81 4.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.407 HD12 HG22 ' A' ' 72' ' ' ILE . 19.9 mt -53.39 -64.62 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.08 -55.21 2.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -37.66 -60.19 1.24 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -161.04 146.01 10.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 109.246 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -39.42 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.412 1.743 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 83' ' ' HIS . 0.6 OUTLIER -158.69 -48.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.621 HG22 ' N ' ' A' ' 83' ' ' HIS . 0.9 OUTLIER 62.91 -78.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.438 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.621 ' N ' HG22 ' A' ' 82' ' ' THR . 3.6 t-80 -124.61 148.0 48.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.623 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.84 166.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.025 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.416 ' CD2' ' OD2' ' A' ' 81' ' ' ASP . 4.1 m95 -137.93 147.11 44.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 107.987 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -117.45 163.59 16.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 6.6 ttt -147.74 140.52 24.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.7 p -113.88 155.81 14.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -87.8 -131.43 3.54 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.76 -66.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.71 162.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -100.64 176.68 5.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -126.66 -152.0 7.95 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.3 p -59.63 161.21 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 109.328 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 86.9 p -177.67 102.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -176.01 179.94 46.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.117 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -173.91 164.17 4.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 0.763 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.86 142.0 5.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.8 p -115.18 170.72 8.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 140.37 85.31 0.1 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -56.55 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.551 1.816 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.2 m 179.64 171.13 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.48 104.93 2.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.97 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.559 1.162 . . . . 0.0 110.975 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.07 128.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 110.036 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.99 94.14 7.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.02 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.37 155.44 23.41 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -175.94 154.34 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 110.03 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.77 149.88 44.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.947 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.465 ' HA3' HG13 ' A' ' 88' ' ' VAL . . . -143.82 -141.19 3.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -116.45 162.26 17.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -47.89 157.73 0.26 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.483 1.115 . . . . 0.0 110.326 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -149.98 -51.63 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -53.88 149.65 8.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.2 p -129.99 145.2 51.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.421 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -114.85 124.0 50.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -146.06 -64.97 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.583 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.88 -31.26 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -108.99 140.38 42.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -48.16 106.6 0.62 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 163.11 36.01 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.491 1.785 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.67 103.99 2.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -175.95 -41.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.2 m -63.52 -101.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.409 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.2 -34.04 22.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -47.29 -49.78 23.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -49.03 -58.29 5.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.245 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 38.1 mt -42.12 -52.87 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -64.74 -39.05 92.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.462 ' O ' HD12 ' A' ' 31' ' ' ILE . 11.9 mt -59.39 -59.92 4.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.39 -20.36 29.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -84.61 -34.47 23.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 110.343 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.0 mtm -81.44 -42.28 20.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.462 HD12 ' O ' ' A' ' 27' ' ' LEU . 2.4 mt -58.72 -30.65 42.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.7 t -70.5 -39.79 73.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.978 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -75.41 -17.15 60.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -128.28 75.73 1.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.608 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -126.0 171.08 11.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -149.68 147.69 28.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.61 -33.61 4.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -56.49 -67.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.528 ' CE2' ' CG2' ' A' ' 43' ' ' VAL . 65.2 t80 -55.82 -40.53 72.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -53.86 -58.2 8.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.83 -37.16 50.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.675 ' HB3' HG23 ' A' ' 68' ' ' VAL . 51.8 mttt -67.94 -57.91 5.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.528 ' CG2' ' CE2' ' A' ' 39' ' ' PHE . 71.4 t -42.13 -45.74 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -63.98 -55.87 19.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.244 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.428 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.9 OUTLIER -46.51 -38.38 9.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.729 ' HG ' HG22 ' A' ' 68' ' ' VAL . 10.7 mt -62.33 -61.74 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.868 HD11 ' HA ' ' A' ' 54' ' ' GLN . 27.9 mt -47.85 -27.77 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.44 -35.91 22.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 46' ' ' LEU . 11.6 mt -81.72 -72.16 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.734 HG21 HD13 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -56.86 -83.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.389 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 136.01 -11.09 4.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -61.63 -170.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -89.33 156.74 18.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.868 ' HA ' HD11 ' A' ' 47' ' ' ILE . 26.5 tt0 -53.44 -61.75 2.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -40.04 -53.16 2.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.49 ' HA ' HD12 ' A' ' 59' ' ' ILE . 3.7 mm-40 -56.21 -54.06 49.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 65.0 m -54.71 -50.93 67.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 108.322 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 78.5 t -51.62 -31.57 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 56' ' ' GLU . 19.7 mt -80.66 -53.28 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.25 -52.79 50.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.51 HD13 HD11 ' A' ' 46' ' ' LEU . 7.5 tp -53.32 -61.51 2.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -50.79 -57.81 7.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.591 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -41.4 -52.03 3.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.467 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 1.1 m -58.9 -66.26 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 108.328 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 1.0 OUTLIER 159.2 -27.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.58 44.95 0.08 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.558 1.161 . . . . 0.0 111.055 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.17 110.71 10.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 0.778 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.729 HG22 ' HG ' ' A' ' 46' ' ' LEU . 2.9 t -52.23 -40.56 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -62.87 -62.16 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -49.07 -47.61 44.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.09 -53.33 54.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.645 HG12 HG23 ' A' ' 50' ' ' THR . 8.1 mt -47.03 -54.54 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -46.54 -29.74 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.8 t -88.45 -52.43 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.734 HD13 HG21 ' A' ' 50' ' ' THR . 10.2 mt -49.61 -54.08 20.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 62.1 mt -46.07 -58.83 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -126.43 -89.93 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.454 ' O ' ' CB ' ' A' ' 79' ' ' ASN . . . 155.94 116.52 0.54 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.136 . . . . 0.0 111.038 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 78' ' ' GLY . 2.8 t-20 78.26 138.13 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.767 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -52.12 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.438 1.757 . . . . 0.0 110.99 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -174.44 79.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.7 t -51.69 146.16 8.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.401 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -52.85 -60.9 2.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.606 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 59.7 p -52.22 163.55 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -114.78 103.51 11.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 108.016 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -96.11 119.25 34.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.89 98.98 7.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.465 HG13 ' HA3' ' A' ' 7' ' ' GLY . 8.2 p -122.21 144.89 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -167.37 103.37 0.2 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 mptt 62.71 176.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.76 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.13 145.25 32.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.53 105.31 17.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -108.42 120.09 5.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.6 p -103.97 138.25 29.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.48 0.753 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 t -158.37 165.67 34.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.999 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.01 -148.63 0.17 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 0.0 110.951 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -86.96 149.8 24.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 110.284 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 65.98 77.1 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.8 m -78.97 165.5 23.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -144.9 157.25 27.25 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 129.1 12.02 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.444 1.76 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 91.4 p -121.31 97.13 5.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.9 m -131.46 103.12 6.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.07 -58.47 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.75 . . . . 0.0 110.017 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 p -177.59 90.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.987 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.32 155.95 0.26 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.143 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.21 141.78 48.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 110.048 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.4 p -135.58 -58.65 0.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.85 139.25 3.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -104.16 167.83 9.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.79 113.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -114.81 -51.1 2.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 74.07 -65.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.1 t 40.84 45.46 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.66 -58.82 1.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.256 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -174.37 -62.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.612 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 mttt 63.19 86.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.4 -61.68 1.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 58.53 162.27 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 173.15 15.0 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.5 1.789 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.498 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 12.2 pt20 -132.83 113.68 13.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 19' ' ' GLN . . . 175.59 -36.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.0 p -96.05 -158.83 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.395 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.0 -37.63 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.56 -59.21 3.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.48 ' OE1' ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -41.16 -55.39 2.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.93 -60.62 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.79 -39.79 82.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.324 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.464 ' C ' HD12 ' A' ' 31' ' ' ILE . 10.3 mt -56.18 -66.41 0.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.48 ' HB2' ' OE1' ' A' ' 24' ' ' GLN . . . -48.75 -28.62 3.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -76.07 -34.67 59.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 27' ' ' LEU . 17.1 mtm -83.57 -42.91 16.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.464 HD12 ' C ' ' A' ' 27' ' ' LEU . 2.9 mt -56.18 -54.26 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.1 t -44.91 -58.04 3.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.966 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.75 -52.35 32.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -93.48 87.4 5.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.58 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -139.62 154.59 47.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.133 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.38 167.21 11.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.59 -47.18 76.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -45.88 -59.55 2.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.738 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 74.2 t80 -56.99 -40.86 77.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -55.17 -57.5 11.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 110.236 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.89 -33.07 55.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.641 ' HB3' HD21 ' A' ' 61' ' ' LEU . 35.5 mttt -71.72 -58.63 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.681 HG21 ' CE2' ' A' ' 39' ' ' PHE . 4.6 t -42.8 -54.43 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -53.88 -50.48 66.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.486 ' OE1' HD11 ' A' ' 49' ' ' ILE . 1.2 mm-40 -49.64 -41.37 42.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' THR . 15.5 mt -62.1 -60.07 4.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.614 HD11 ' HA ' ' A' ' 54' ' ' GLN . 16.6 mt -48.97 -24.83 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.83 -33.8 17.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.486 HD11 ' OE1' ' A' ' 45' ' ' GLN . 11.8 mt -83.97 -71.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.172 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.743 HG21 HD13 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -58.06 -83.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 132.61 -7.19 5.25 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.473 ' HG3' HD22 ' A' ' 75' ' ' LEU . 3.7 mmtp -65.85 -169.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -86.63 152.8 22.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.614 ' HA ' HD11 ' A' ' 47' ' ' ILE . 24.2 tt0 -54.92 -60.0 3.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' GLN . 23.8 m-20 -39.86 -57.39 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.814 ' HA ' HD12 ' A' ' 59' ' ' ILE . 2.5 mm-40 -57.46 -51.81 67.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 98.1 m -51.36 -49.35 61.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.738 HG13 ' CZ ' ' A' ' 39' ' ' PHE . 97.5 t -54.5 -46.69 71.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.814 HD12 ' HA ' ' A' ' 56' ' ' GLU . 45.6 mt -53.85 -54.6 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.61 -62.05 2.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.641 HD21 ' HB3' ' A' ' 42' ' ' LYS . 12.9 tp -47.56 -64.03 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -47.21 -50.81 20.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.613 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -56.27 -47.36 78.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 38.6 m -67.9 -19.87 65.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 108.293 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 16.7 t30 82.03 62.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 59.77 41.17 97.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 71' ' ' ALA . 0.7 OUTLIER -113.49 107.91 16.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.714 ' O ' HD12 ' A' ' 72' ' ' ILE . 2.9 t -75.15 -37.09 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -67.04 -66.52 0.55 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.58 ' O ' HG23 ' A' ' 74' ' ' VAL . 7.9 mtt180 -48.47 -44.56 35.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 67' ' ' ASP . . . -55.72 -48.45 75.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.714 HD12 ' O ' ' A' ' 68' ' ' VAL . 8.8 mt -54.53 -32.87 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.29 -34.2 63.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 70' ' ' ARG . 41.0 t -77.44 -56.59 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.743 HD13 HG21 ' A' ' 50' ' ' THR . 8.0 mt -47.53 -52.57 17.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 42.0 mt -52.61 -65.94 0.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -42.94 -48.61 5.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -37.44 -69.3 0.31 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -74.42 133.33 77.58 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.51 0.771 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -33.43 4.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -173.69 86.32 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 48.2 m -154.77 68.79 0.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.373 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -131.56 60.37 1.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.598 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.9 t 67.26 163.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.96 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -95.61 147.46 23.56 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.39 171.22 12.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.61 114.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 91.2 t -126.08 -63.95 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 134.34 146.15 5.38 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.55 -66.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.74 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.56 172.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? 62.96 111.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 176.45 75.23 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.548 1.155 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 85.4 t 63.71 127.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 109.257 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 80.2 p -85.86 166.48 15.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.53 151.04 27.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -119.75 -60.94 1.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 44.21 78.02 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.45 165.17 24.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 175.59 90.41 0.08 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.561 1.163 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 89.01 1.19 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.499 1.789 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.0 m -66.43 -58.12 5.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.966 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -58.09 9.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.142 . . . . 0.0 109.956 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -53.71 -65.75 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.52 ' CE1' HG21 ' A' ' 43' ' ' VAL . 55.2 t80 -53.29 -43.56 67.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.973 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -52.83 -57.86 8.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.86 -40.43 56.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.478 ' HB3' HG23 ' A' ' 68' ' ' VAL . 33.7 mttt -64.22 -53.03 55.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.526 HG21 HG22 ' A' ' 58' ' ' VAL . 4.8 t -44.8 -54.48 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.5 mtpp -54.75 -41.89 70.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.756 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -59.69 -36.66 76.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.347 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.793 HD21 ' HB3' ' A' ' 71' ' ' ALA . 19.5 mt -64.97 -45.98 83.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 51' ' ' GLY . 12.7 mt -62.47 -56.41 17.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.19 -43.33 64.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.756 HD12 ' O ' ' A' ' 45' ' ' GLN . 20.9 mt -69.14 -70.11 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.482 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 30.3 p -80.52 -69.74 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.407 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.482 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 106.62 27.51 5.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -84.41 165.38 18.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -44.86 118.93 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.417 ' CB ' HD11 ' A' ' 47' ' ' ILE . 8.9 tt0 -39.02 -60.13 0.9 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -42.5 -51.63 4.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.506 ' HA ' HD12 ' A' ' 59' ' ' ILE . 7.7 mm-40 -57.69 -44.04 85.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.9 m -58.89 -43.53 90.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 108.299 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.526 HG22 HG21 ' A' ' 43' ' ' VAL . 56.0 t -61.94 -39.61 84.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 56' ' ' GLU . 11.0 mt -70.83 -53.53 21.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.5 -58.93 4.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.471 HD13 HD11 ' A' ' 46' ' ' LEU . 9.1 tp -46.46 -58.7 3.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -54.31 -58.1 8.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.615 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.42 -48.15 2.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 0.8 OUTLIER -61.92 -62.47 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 108.296 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 5.9 m-20 156.4 -25.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 133.74 43.89 0.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.69 112.57 13.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.478 HG23 ' HB3' ' A' ' 42' ' ' LYS . 4.1 t -51.91 -45.21 39.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -60.67 -62.7 1.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -46.68 -43.87 18.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.793 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -59.92 -57.03 14.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.634 HD11 HD13 ' A' ' 49' ' ' ILE . 11.1 mt -45.96 -45.42 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.1 -37.51 61.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 71' ' ' ALA . 49.9 t -83.07 -52.36 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.667 HD12 HD22 ' A' ' 46' ' ' LEU . 8.2 mt -48.01 -56.57 7.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 41.8 mt . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -52.1 -62.61 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.468 ' CE2' HG13 ' A' ' 58' ' ' VAL . 81.7 t80 -53.13 -40.37 64.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -57.06 -56.8 17.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.49 -39.82 64.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.684 ' HB3' HG23 ' A' ' 68' ' ' VAL . 31.4 mttt -61.3 -54.3 45.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.606 ' CG2' HG22 ' A' ' 58' ' ' VAL . 24.7 t -42.2 -57.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -53.33 -46.73 69.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.474 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -52.18 -40.62 61.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.617 HD22 ' CD1' ' A' ' 75' ' ' LEU . 12.4 mt -63.46 -44.9 93.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.415 HD11 ' CB ' ' A' ' 54' ' ' GLN . 13.0 mt -62.94 -56.05 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.21 -38.97 71.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.474 ' CG1' ' O ' ' A' ' 45' ' ' GLN . 48.5 mt -69.2 -69.69 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.484 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 32.1 p -85.23 -69.2 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.422 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.484 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 109.84 22.23 6.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.572 1.17 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.492 ' HG3' HD22 ' A' ' 75' ' ' LEU . 17.4 mmtt -75.73 176.57 7.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 0.0 109.342 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -56.32 118.06 4.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.415 ' CB ' HD11 ' A' ' 47' ' ' ILE . 35.7 tt0 -38.84 -59.33 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.58 -49.79 13.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -59.7 -47.36 85.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 74.5 m -58.82 -51.23 70.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 108.321 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.606 HG22 ' CG2' ' A' ' 43' ' ' VAL . 79.3 t -58.02 -35.76 53.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.7 mt -71.79 -62.99 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -49.59 -46.82 49.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 67' ' ' ASP . 8.5 tp -47.18 -66.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -60.73 -54.55 43.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.609 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -40.04 -46.14 2.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -68.59 -70.32 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 108.306 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.0 t30 174.5 40.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 56.58 16.74 17.34 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.536 1.147 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.504 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -100.61 134.31 43.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 0.802 . . . . 0.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.684 HG23 ' HB3' ' A' ' 42' ' ' LYS . 3.6 t -68.54 -36.84 76.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.21 -64.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -43.02 -37.03 1.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.472 ' CB ' HD11 ' A' ' 46' ' ' LEU . . . -65.26 -58.07 6.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.496 HG22 HD12 ' A' ' 76' ' ' LEU . 28.2 mt -41.28 -40.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.15 -49.36 69.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 71' ' ' ALA . 55.0 t -78.66 -51.01 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.617 ' CD1' HD22 ' A' ' 46' ' ' LEU . 8.1 mt -45.48 -60.83 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.496 HD12 HG22 ' A' ' 72' ' ' ILE . 42.7 mt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -47.35 -64.88 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.699 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 63.0 t80 -53.0 -42.8 65.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -55.45 -56.8 16.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.132 . . . . 0.0 110.291 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -40.49 62.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.671 ' HB3' HG23 ' A' ' 68' ' ' VAL . 34.0 mttt -60.55 -55.15 36.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.546 ' CG2' HG22 ' A' ' 58' ' ' VAL . 48.6 t -43.33 -55.6 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 109.359 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -53.59 -49.69 67.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.576 ' O ' HD12 ' A' ' 49' ' ' ILE . 1.3 mm-40 -50.45 -41.82 53.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.653 HD22 ' CD1' ' A' ' 75' ' ' LEU . 16.5 mt -60.96 -46.11 92.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.431 HD11 ' CB ' ' A' ' 54' ' ' GLN . 13.1 mt -62.58 -50.53 79.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -41.81 93.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.576 HD12 ' O ' ' A' ' 45' ' ' GLN . 17.6 mt -68.37 -69.84 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.492 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 44.1 p -82.23 -75.19 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.492 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 113.81 26.46 3.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -83.49 169.38 15.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' GLN . 57.8 m-20 -46.66 119.2 2.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.431 ' CB ' HD11 ' A' ' 47' ' ' ILE . 46.6 tt0 -38.76 -59.65 0.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -44.99 -51.31 10.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.433 ' HA ' HD12 ' A' ' 59' ' ' ILE . 6.2 mm-40 -57.23 -44.91 84.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 78.1 m -58.43 -52.38 65.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.291 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.699 HG13 ' CZ ' ' A' ' 39' ' ' PHE . 87.9 t -56.49 -32.27 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 56' ' ' GLU . 23.7 mt -75.98 -65.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.03 -33.22 4.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.549 ' HA ' ' HB2' ' A' ' 71' ' ' ALA . 6.7 tp -65.56 -66.34 0.56 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -57.34 -53.53 57.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.559 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -40.6 -47.77 2.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -70.18 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 108.302 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 169.65 41.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.18 12.19 36.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.448 1.092 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.501 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -96.29 131.18 43.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.751 . . . . 0.0 109.297 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.671 HG23 ' HB3' ' A' ' 42' ' ' LYS . 3.3 t -71.3 -40.09 73.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.418 1.074 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.73 -59.43 4.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -48.16 -46.47 34.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 110.338 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.549 ' HB2' ' HA ' ' A' ' 61' ' ' LEU . . . -59.08 -52.02 67.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.509 HD11 HD13 ' A' ' 49' ' ' ILE . 13.4 mt -45.16 -48.34 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -50.54 -37.22 38.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 71' ' ' ALA . 62.0 t -83.49 -52.55 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.353 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.653 ' CD1' HD22 ' A' ' 46' ' ' LEU . 13.6 mt -49.31 -49.93 41.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 35.1 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -47.71 -65.75 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.718 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 46.4 t80 -52.93 -40.83 63.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -56.73 -56.68 18.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.266 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.71 -36.91 62.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.631 ' HB3' HD21 ' A' ' 61' ' ' LEU . 31.6 mttt -65.27 -56.35 13.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.582 ' CG2' HG22 ' A' ' 58' ' ' VAL . 30.0 t -43.1 -51.56 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -57.76 -44.31 86.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.636 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.4 OUTLIER -55.57 -37.66 68.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.343 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.666 HD22 HD12 ' A' ' 75' ' ' LEU . 14.3 mt -65.47 -45.14 84.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 51' ' ' GLY . 13.2 mt -63.54 -57.37 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.31 -41.02 65.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.636 HD12 ' O ' ' A' ' 45' ' ' GLN . 41.0 mt -68.92 -69.68 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 31.3 p -81.88 -69.62 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.471 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 108.13 22.51 7.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.553 1.158 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.646 ' HG3' HD22 ' A' ' 75' ' ' LEU . 8.5 mmtt -77.42 -177.78 4.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 0.753 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -61.33 118.85 7.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.433 ' CB ' HD11 ' A' ' 47' ' ' ILE . 23.9 tt0 -39.02 -59.99 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -42.42 -48.05 5.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.608 ' HA ' HD12 ' A' ' 59' ' ' ILE . 9.0 mm-40 -63.56 -53.41 52.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 98.9 m -48.35 -46.15 36.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 108.315 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.718 HG13 ' CZ ' ' A' ' 39' ' ' PHE . 71.1 t -62.62 -36.92 77.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' ' 56' ' ' GLU . 24.6 mt -67.22 -63.51 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.77 -49.81 14.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.631 HD21 ' HB3' ' A' ' 42' ' ' LYS . 4.8 tp -49.58 -61.99 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' ASP . 4.1 t60 -58.21 -59.41 5.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.593 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' HIS . 1.3 t0 -40.4 -47.6 2.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 1.4 m -64.17 -69.16 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 108.269 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 7.7 m-20 157.54 45.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.81 14.08 54.11 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.474 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -95.76 133.97 39.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 0.774 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.515 HG23 ' HD3' ' A' ' 42' ' ' LYS . 2.7 t -78.48 -38.27 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -64.84 -64.53 0.85 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -45.41 -43.6 11.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.484 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -58.48 -55.03 40.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.502 HD11 HD13 ' A' ' 49' ' ' ILE . 8.1 mt -47.18 -43.26 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.57 -39.79 68.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.1 t -81.06 -52.82 13.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.666 HD12 HD22 ' A' ' 46' ' ' LEU . 9.8 mt -45.5 -53.56 8.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.8 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -47.33 -62.47 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.496 ' O ' HG23 ' A' ' 43' ' ' VAL . 71.5 t80 -57.54 -41.19 80.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -56.97 -56.29 23.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.75 -35.48 68.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.444 ' HB3' HD21 ' A' ' 61' ' ' LEU . 29.0 mttt -64.83 -53.21 50.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 39' ' ' PHE . 50.4 t -42.77 -57.98 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -52.41 -48.79 65.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.631 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -49.74 -40.87 42.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 110.289 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.664 HD22 ' CD1' ' A' ' 75' ' ' LEU . 13.3 mt -63.81 -44.64 92.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 51' ' ' GLY . 12.1 mt -61.98 -58.5 7.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.23 -42.08 66.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.631 HD12 ' O ' ' A' ' 45' ' ' GLN . 27.2 mt -64.38 -69.69 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.487 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 32.8 p -86.52 -69.59 0.66 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.406 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.487 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 111.94 24.08 5.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.551 ' HG3' HD22 ' A' ' 75' ' ' LEU . 19.3 mmtt -78.55 167.36 21.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -48.54 119.13 2.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.435 ' CB ' HD11 ' A' ' 47' ' ' ILE . 50.8 tt0 -38.75 -55.95 1.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -46.69 -49.29 19.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.36 -48.5 81.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.267 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 59.2 m -56.92 -54.27 48.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 108.343 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.472 HG13 ' CE2' ' A' ' 39' ' ' PHE . 79.3 t -52.89 -31.96 17.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' ALA . 26.5 mt -77.64 -70.32 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' ILE . . . -40.03 -47.24 2.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 67' ' ' ASP . 5.8 tp -46.98 -66.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 63' ' ' ASP . 4.7 t60 -62.6 -52.39 63.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 109.589 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' HIS . 0.7 OUTLIER -40.15 -45.73 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -70.67 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 108.284 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.6 t30 176.68 38.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.421 ' C ' ' CD1' ' A' ' 61' ' ' LEU . . . 58.87 14.84 25.14 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 111.029 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.497 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -99.24 140.97 32.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.76 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.44 HG22 ' HG ' ' A' ' 46' ' ' LEU . 3.1 t -73.87 -45.56 49.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -61.55 -61.85 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -45.94 -38.09 7.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.246 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.574 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -66.13 -55.51 16.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.627 HD11 HD13 ' A' ' 49' ' ' ILE . 9.7 mt -46.18 -35.19 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.49 -41.34 94.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 71' ' ' ALA . 59.7 t -83.86 -50.91 14.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.664 ' CD1' HD22 ' A' ' 46' ' ' LEU . 7.6 mt -45.03 -54.12 6.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.7 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -52.27 -71.69 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.54 ' CE2' ' CG2' ' A' ' 43' ' ' VAL . 71.1 t80 -55.15 -48.96 72.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 111.039 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.97 -61.84 1.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.9 -47.14 32.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.769 ' HB3' HG23 ' A' ' 68' ' ' VAL . 17.0 mttt -54.71 -52.84 61.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.569 HG21 HG22 ' A' ' 58' ' ' VAL . 39.0 t -47.25 -56.89 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -52.91 -47.92 67.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.492 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 2.0 mm-40 -50.91 -38.89 52.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.665 HD22 ' CD1' ' A' ' 75' ' ' LEU . 12.8 mt -65.91 -47.3 75.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.53 HD11 ' HG3' ' A' ' 54' ' ' GLN . 18.8 mt -63.26 -48.15 88.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.31 -40.02 96.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 45' ' ' GLN . 44.0 mt -70.59 -69.9 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.48 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 33.5 p -85.92 -70.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.372 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.48 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 108.66 25.89 5.54 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.545 ' HB2' HD22 ' A' ' 75' ' ' LEU . 12.2 mmtt -77.22 173.15 12.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.751 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -46.59 115.68 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.53 ' HG3' HD11 ' A' ' 47' ' ' ILE . 26.7 tt0 -38.47 -58.04 1.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.606 ' O ' HD12 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -47.26 -60.76 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 60' ' ' ALA . 17.7 mm-40 -45.12 -45.34 11.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 66.5 m -56.77 -55.55 32.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 108.336 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.569 HG22 HG21 ' A' ' 43' ' ' VAL . 41.7 t -51.28 -46.58 33.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.606 HD12 ' O ' ' A' ' 55' ' ' ASP . 3.5 mt -64.82 -71.13 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 56' ' ' GLU . . . -40.47 -48.69 2.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 66' ' ' GLY . 8.8 tp -46.44 -65.3 0.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.148 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' ASP . 5.0 t60 -62.29 -53.83 49.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.599 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' HIS . 1.4 t0 -39.63 -52.22 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -62.84 -69.43 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 108.305 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 t30 171.07 41.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . 55.8 17.53 15.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.095 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.97 124.43 46.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.769 HG23 ' HB3' ' A' ' 42' ' ' LYS . 3.1 t -61.8 -37.37 77.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.527 ' HA ' HD12 ' A' ' 72' ' ' ILE . 1.1 m120 -68.24 -65.17 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.4 ' O ' ' SG ' ' A' ' 64' ' ' CYS . 7.4 mmt180 -44.94 -38.19 4.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -62.51 -54.42 40.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.564 ' CG2' HD12 ' A' ' 76' ' ' LEU . 7.3 mt -41.17 -47.77 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -49.04 -46.64 44.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 71' ' ' ALA . 46.9 t -77.18 -52.79 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.665 ' CD1' HD22 ' A' ' 46' ' ' LEU . 9.1 mt -47.36 -65.07 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.564 HD12 ' CG2' ' A' ' 72' ' ' ILE . 31.5 mt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -48.9 -60.78 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.739 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 55.6 t80 -52.4 -41.67 63.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -55.99 -56.81 16.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.69 -40.58 63.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.335 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.685 ' HB3' HG23 ' A' ' 68' ' ' VAL . 27.1 mttt -60.33 -54.57 44.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.62 ' CG2' HG22 ' A' ' 58' ' ' VAL . 42.4 t -44.57 -54.57 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -54.4 -47.34 72.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.421 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 1.0 OUTLIER -52.27 -39.23 60.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.579 HD22 ' CD1' ' A' ' 75' ' ' LEU . 12.8 mt -64.43 -45.08 89.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.425 HD11 ' HG3' ' A' ' 54' ' ' GLN . 26.8 mt -64.94 -41.38 91.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.82 -36.01 72.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.421 ' CG1' ' O ' ' A' ' 45' ' ' GLN . 47.4 mt -75.58 -69.93 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.494 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 37.1 p -80.49 -73.49 0.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.359 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.494 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 111.35 27.25 4.25 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.625 ' HG3' HD22 ' A' ' 75' ' ' LEU . 17.8 mmtt -84.22 175.48 9.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.76 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -54.06 119.31 4.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.425 ' HG3' HD11 ' A' ' 47' ' ' ILE . 42.5 tt0 -38.71 -60.58 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -44.31 -50.97 8.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 59' ' ' ILE . 7.0 mm-40 -59.24 -45.93 89.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 110.339 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 87.8 m -55.62 -52.26 64.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 108.317 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.739 HG13 ' CZ ' ' A' ' 39' ' ' PHE . 77.7 t -58.19 -34.72 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 56' ' ' GLU . 52.6 mt -66.43 -58.52 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.62 -49.13 71.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.574 HD21 ' CB ' ' A' ' 42' ' ' LYS . 5.5 tp -48.55 -61.77 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -59.96 -55.02 39.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.584 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -40.77 -52.44 2.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 0.5 OUTLIER -65.24 -69.56 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 108.333 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 2.8 m-20 155.66 69.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 65' ' ' ASN . . . 37.34 31.02 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.463 ' CB ' ' HG3' ' A' ' 70' ' ' ARG . 0.2 OUTLIER -111.64 110.75 21.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.685 HG23 ' HB3' ' A' ' 42' ' ' LYS . 3.1 t -59.38 -39.69 79.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -65.19 -61.78 1.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.463 ' HG3' ' CB ' ' A' ' 67' ' ' ASP . 13.1 mmt180 -48.74 -41.15 31.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.422 ' HB2' ' HA ' ' A' ' 61' ' ' LEU . . . -58.78 -51.06 71.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.457 HG13 ' CD2' ' A' ' 46' ' ' LEU . 10.1 mt -51.76 -37.71 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.87 -24.5 67.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.417 HG21 ' SG ' ' A' ' 64' ' ' CYS . 57.9 t -95.34 -51.1 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.625 HD22 ' HG3' ' A' ' 52' ' ' LYS . 6.9 mt -49.08 -50.46 36.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.4 mt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.138 . . . . 0.0 109.26 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -42.7 -59.09 2.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.68 ' CE2' ' CG2' ' A' ' 43' ' ' VAL . 69.4 t80 -58.28 -43.54 88.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -51.23 -58.66 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.39 -30.68 41.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.592 ' HD3' HG23 ' A' ' 68' ' ' VAL . 48.6 mttt -73.47 -51.1 18.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.68 ' CG2' ' CE2' ' A' ' 39' ' ' PHE . 73.7 t -46.97 -52.89 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.246 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -56.1 -41.66 75.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.594 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -57.33 -37.23 72.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.543 HD22 HD12 ' A' ' 75' ' ' LEU . 14.0 mt -64.15 -43.17 96.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.473 HD11 ' CB ' ' A' ' 54' ' ' GLN . 12.6 mt -62.76 -59.56 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.12 -41.25 64.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.594 HD12 ' O ' ' A' ' 45' ' ' GLN . 35.0 mt -64.96 -69.67 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.486 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 32.0 p -86.3 -69.43 0.67 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.486 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 112.41 24.06 5.2 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.511 ' HB2' HD22 ' A' ' 75' ' ' LEU . 10.4 mmtt -78.6 -178.32 5.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.77 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -61.83 119.45 8.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.473 ' CB ' HD11 ' A' ' 47' ' ' ILE . 21.0 tt0 -39.67 -58.11 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -46.96 -54.69 9.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.772 ' HA ' HD12 ' A' ' 59' ' ' ILE . 7.0 mm-40 -53.06 -43.39 66.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.5 m -57.63 -53.26 60.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 108.296 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.485 HG13 ' CE2' ' A' ' 39' ' ' PHE . 69.5 t -50.96 -44.97 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.772 HD12 ' HA ' ' A' ' 56' ' ' GLU . 9.9 mt -56.91 -63.25 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.5 -64.17 0.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.502 HD21 ' CB ' ' A' ' 42' ' ' LYS . 15.8 tp -45.27 -60.62 2.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -49.1 -52.18 27.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.593 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -55.49 -50.44 69.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 36.4 m -62.87 -20.14 64.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 108.317 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 48.2 t30 81.84 59.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.27 39.09 95.79 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.472 ' C ' HD12 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -110.53 102.43 11.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 0.726 . . . . 0.0 109.263 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.592 HG23 ' HD3' ' A' ' 42' ' ' LYS . 3.5 t -68.44 -31.84 52.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -74.04 -66.6 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.596 ' O ' HG23 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -47.94 -37.48 14.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 67' ' ' ASP . . . -62.4 -46.46 88.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.511 HD12 ' O ' ' A' ' 68' ' ' VAL . 12.7 mt -54.85 -42.33 62.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.93 -40.26 88.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 70' ' ' ARG . 39.5 t -74.4 -56.07 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.543 HD12 HD22 ' A' ' 46' ' ' LEU . 15.3 mt -49.81 -57.98 6.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.437 HD12 HG22 ' A' ' 72' ' ' ILE . 75.0 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -51.44 -66.58 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.52 ' O ' HG23 ' A' ' 43' ' ' VAL . 68.7 t80 -55.72 -39.22 70.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -55.02 -57.91 9.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.19 -29.41 45.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.807 ' HD3' HG23 ' A' ' 68' ' ' VAL . 17.0 mttm -73.35 -52.29 14.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 39' ' ' PHE . 75.7 t -44.31 -48.48 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -60.48 -50.67 72.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.48 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -49.88 -39.11 38.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.264 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.615 HD11 HD13 ' A' ' 61' ' ' LEU . 19.9 mt -61.55 -42.09 98.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 109.241 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' GLY . 14.3 mt -64.49 -59.99 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.94 -38.98 65.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.48 ' CG1' ' O ' ' A' ' 45' ' ' GLN . 46.8 mt -67.08 -69.56 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.47 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 31.6 p -84.44 -69.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.374 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.47 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 112.2 23.26 5.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 111.045 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.748 ' HB2' HD22 ' A' ' 75' ' ' LEU . 11.8 mmtt -79.46 179.89 7.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -61.92 120.99 11.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.425 ' CB ' HD11 ' A' ' 47' ' ' ILE . 14.4 tt0 -38.91 -60.19 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.35 -58.05 2.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.414 ' HA ' HD12 ' A' ' 59' ' ' ILE . 5.1 mm-40 -48.47 -45.29 36.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 85.0 m -56.7 -52.55 64.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 108.325 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 79.9 t -52.49 -42.89 40.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 56' ' ' GLU . 7.7 mt -63.45 -55.34 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.88 -66.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.615 HD13 HD11 ' A' ' 46' ' ' LEU . 15.6 tp -44.25 -59.38 2.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -49.55 -48.36 48.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.607 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -60.29 -48.71 80.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 39.2 m -69.91 -9.05 53.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 108.262 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 61' ' ' LEU . 1.9 m-20 66.99 76.55 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 48.51 47.83 28.77 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.419 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 0.4 OUTLIER -119.47 93.66 4.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.743 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.807 HG23 ' HD3' ' A' ' 42' ' ' LYS . 3.0 t -63.42 -37.47 79.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -66.95 -66.45 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.539 ' O ' HG23 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -50.24 -41.25 49.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 67' ' ' ASP . . . -59.65 -46.92 87.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.468 HG13 ' CD2' ' A' ' 46' ' ' LEU . 13.4 mt -52.92 -41.63 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.27 -38.91 91.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 70' ' ' ARG . 39.6 t -74.27 -56.69 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.748 HD22 ' HB2' ' A' ' 52' ' ' LYS . 10.6 mt -49.9 -54.54 18.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.9 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.343 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -42.16 -61.45 1.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.703 ' CE1' ' CG2' ' A' ' 43' ' ' VAL . 53.7 t80 -56.2 -46.08 79.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -50.05 -58.33 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.55 -34.9 59.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.709 ' HB3' HD21 ' A' ' 61' ' ' LEU . 30.6 mttt -69.66 -49.05 57.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 0.0 109.331 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.703 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 93.7 t -46.71 -51.11 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.8 mtpp -58.26 -51.52 69.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.456 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 0.4 OUTLIER -48.33 -37.23 16.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.616 HD22 HD12 ' A' ' 75' ' ' LEU . 18.4 mt -66.14 -46.19 78.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.43 HD11 ' CB ' ' A' ' 54' ' ' GLN . 26.2 mt -64.8 -40.68 89.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.53 -37.13 74.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.576 HD13 HD11 ' A' ' 72' ' ' ILE . 41.1 mt -74.76 -69.9 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.497 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 41.7 p -79.88 -74.94 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.394 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.497 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 112.9 26.58 4.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.651 ' HB2' HD22 ' A' ' 75' ' ' LEU . 11.0 mmtt -82.02 179.4 7.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 0.774 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -58.55 119.44 7.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.445 ' O ' HG23 ' A' ' 58' ' ' VAL . 31.0 tt0 -38.83 -57.03 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.671 ' O ' HD12 ' A' ' 59' ' ' ILE . 60.5 m-20 -45.43 -62.45 1.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -49.02 -42.51 38.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.333 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.485 ' HA ' HD11 ' A' ' 75' ' ' LEU . 85.3 m -59.43 -44.94 92.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.088 . . . . 0.0 108.303 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.507 HG13 ' CE1' ' A' ' 39' ' ' PHE . 98.3 t -60.17 -53.16 52.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.671 HD12 ' O ' ' A' ' 55' ' ' ASP . 2.7 mp -55.56 -55.8 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.82 -66.39 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.709 HD21 ' HB3' ' A' ' 42' ' ' LYS . 13.1 tp -41.34 -57.78 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -53.04 -49.4 66.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.593 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -57.46 -50.7 72.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.351 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 73.5 m -65.15 -16.31 63.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 108.354 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 11.3 t-20 81.49 74.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 44.57 41.22 6.78 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.495 ' O ' ' HB2' ' A' ' 71' ' ' ALA . 1.3 t70 -115.7 108.67 16.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.541 HG22 ' HG ' ' A' ' 46' ' ' LEU . 2.7 t -74.51 -38.61 46.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -63.93 -66.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -49.98 -34.51 21.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 110.342 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 67' ' ' ASP . . . -64.98 -58.23 6.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.576 HD11 HD13 ' A' ' 49' ' ' ILE . 11.6 mt -40.27 -38.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -63.86 -51.76 63.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' ALA . 39.7 t -66.93 -56.36 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.651 HD22 ' HB2' ' A' ' 52' ' ' LYS . 8.6 mt -46.18 -58.29 3.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.431 HD12 HG22 ' A' ' 72' ' ' ILE . 48.3 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -49.2 -66.99 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 61' ' ' LEU . 39.5 t80 -50.49 -42.43 54.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -51.73 -58.67 5.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.6 -35.46 54.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.518 ' HD3' HG23 ' A' ' 68' ' ' VAL . 25.0 mttt -66.53 -52.44 45.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.567 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 76.6 t -44.37 -51.27 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -58.22 -44.69 88.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.598 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -56.37 -38.88 72.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.648 HD21 ' HB3' ' A' ' 71' ' ' ALA . 37.5 mt -61.64 -45.48 93.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.471 HD11 ' CB ' ' A' ' 54' ' ' GLN . 13.4 mt -62.02 -57.7 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.1 -43.59 63.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.598 HD12 ' O ' ' A' ' 45' ' ' GLN . 23.1 mt -67.46 -69.89 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.49 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 31.1 p -82.81 -69.85 0.6 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.145 . . . . 0.0 110.454 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.49 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 109.2 19.54 8.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -75.44 164.53 26.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -43.76 119.2 1.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.471 ' CB ' HD11 ' A' ' 47' ' ' ILE . 15.4 tt0 -38.98 -54.54 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.664 ' O ' HD12 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -47.48 -57.18 5.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -49.84 -50.8 44.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.247 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 71.2 m -49.73 -49.27 48.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 108.318 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.6 t -57.1 -55.3 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.664 HD12 ' O ' ' A' ' 55' ' ' ASP . 3.0 mt -54.29 -48.56 67.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.7 -60.69 3.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . 12.1 tp -46.11 -60.99 1.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -53.74 -56.26 18.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.652 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -41.52 -53.32 3.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.41 -68.5 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 108.315 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 t30 168.79 -35.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.34 44.8 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.558 1.161 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.43 108.33 9.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 0.788 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.518 HG23 ' HD3' ' A' ' 42' ' ' LYS . 22.3 t -47.53 -44.14 9.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -58.95 -59.64 5.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -53.4 -48.27 68.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.648 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -54.89 -49.27 71.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.598 HD11 HD13 ' A' ' 49' ' ' ILE . 9.3 mt -51.25 -48.69 32.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.76 -37.58 42.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.0 t -80.43 -53.79 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.524 HD12 HD22 ' A' ' 46' ' ' LEU . 7.7 mt -49.18 -58.22 5.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.475 HD12 HG22 ' A' ' 72' ' ' ILE . 53.9 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -49.36 -55.48 12.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.346 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.668 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 47.5 t80 -60.7 -44.18 96.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -52.88 -57.62 9.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -36.72 44.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.638 ' HB3' HG23 ' A' ' 68' ' ' VAL . 35.7 mttp -66.75 -55.77 13.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.519 HG21 HG22 ' A' ' 58' ' ' VAL . 36.0 t -41.28 -52.7 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -56.66 -45.79 81.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.794 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -55.79 -37.14 68.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.685 HD21 ' HB3' ' A' ' 71' ' ' ALA . 48.4 mt -63.91 -45.33 89.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.481 HD11 ' CB ' ' A' ' 54' ' ' GLN . 14.3 mt -61.76 -57.6 11.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.24 -45.12 61.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.858 HD13 HD11 ' A' ' 72' ' ' ILE . 14.0 mt -67.02 -70.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.494 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 30.9 p -82.73 -70.07 0.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.494 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 110.13 17.61 9.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -72.81 161.61 30.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.783 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -42.66 119.72 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.481 ' CB ' HD11 ' A' ' 47' ' ' ILE . 30.8 tt0 -39.25 -53.42 1.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.255 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -50.18 -50.64 48.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.512 ' HA ' HD12 ' A' ' 59' ' ' ILE . 4.1 mm-40 -55.32 -47.6 75.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 62.6 m -53.0 -49.47 66.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 108.273 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.668 HG13 ' CZ ' ' A' ' 39' ' ' PHE . 69.4 t -55.74 -49.4 74.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 56' ' ' GLU . 7.9 mt -59.8 -51.68 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.18 -62.25 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.46 HD21 ' CB ' ' A' ' 42' ' ' LYS . 11.4 tp -43.38 -56.74 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -57.08 -51.84 67.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.58 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -40.13 -42.1 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.414 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -79.56 -61.35 2.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 108.28 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.414 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.7 OUTLIER 162.29 -48.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.5 43.48 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.25 98.47 5.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.638 HG23 ' HB3' ' A' ' 42' ' ' LYS . 3.6 t -44.24 -46.29 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -57.3 -60.67 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.437 ' O ' HG23 ' A' ' 74' ' ' VAL . 23.9 mmt85 -53.53 -48.97 68.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.685 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -52.39 -49.9 63.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.858 HD11 HD13 ' A' ' 49' ' ' ILE . 8.8 mt -48.93 -50.62 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -53.32 -35.15 59.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 70' ' ' ARG . 41.9 t -78.11 -55.79 9.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.613 HD12 HD22 ' A' ' 46' ' ' LEU . 6.4 mt -47.74 -58.97 3.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 76.5 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -42.21 -65.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.692 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 56.1 t80 -53.4 -42.91 67.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -54.24 -57.5 10.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -50.46 -38.65 44.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.289 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.636 ' HB3' HG23 ' A' ' 68' ' ' VAL . 29.2 mttm -62.1 -58.32 8.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.622 ' CG2' HG22 ' A' ' 58' ' ' VAL . 54.9 t -40.44 -55.82 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -53.61 -47.81 69.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.699 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -52.01 -40.57 61.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.352 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.725 HD22 ' CD1' ' A' ' 75' ' ' LEU . 21.1 mt -64.57 -52.41 57.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.433 HD11 ' CB ' ' A' ' 54' ' ' GLN . 17.3 mt -58.4 -35.76 55.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.53 -48.19 56.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.699 HD12 ' O ' ' A' ' 45' ' ' GLN . 7.4 mt -68.83 -70.34 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 43.8 p -74.38 -80.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.521 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 114.8 29.39 2.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt -86.64 175.98 8.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -56.08 119.65 6.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.433 ' CB ' HD11 ' A' ' 47' ' ' ILE . 34.2 tt0 -38.97 -55.2 1.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.473 ' O ' HD12 ' A' ' 59' ' ' ILE . 1.6 m-20 -45.77 -50.87 13.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.35 -52.97 61.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 56.3 m -51.63 -49.83 61.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 108.283 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.692 HG13 ' CZ ' ' A' ' 39' ' ' PHE . 73.3 t -59.57 -46.83 92.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.473 HD12 ' O ' ' A' ' 55' ' ' ASP . 15.9 mt -59.2 -57.29 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.68 -52.72 59.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.486 HD23 ' CE1' ' A' ' 39' ' ' PHE . 17.6 tp -41.61 -56.94 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -67.88 -52.67 33.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.645 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -41.33 -51.92 3.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -64.3 -71.16 0.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 108.277 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 67' ' ' ASP . 23.6 t30 168.73 60.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 37.73 30.55 0.07 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.426 1.079 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' ASN . 0.1 OUTLIER -114.5 125.14 53.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 0.747 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.636 HG23 ' HB3' ' A' ' 42' ' ' LYS . 4.5 t -63.84 -44.13 98.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -62.17 -63.27 1.3 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -46.55 -38.58 9.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.513 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -63.12 -58.59 6.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.557 HD11 HD13 ' A' ' 49' ' ' ILE . 7.5 mt -39.81 -43.64 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.82 -51.99 52.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 71' ' ' ALA . 60.1 t -74.39 -52.72 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.725 ' CD1' HD22 ' A' ' 46' ' ' LEU . 5.1 mt -42.49 -55.22 3.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 36.3 mt . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.942 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -47.71 -65.69 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.636 ' CE1' HD23 ' A' ' 61' ' ' LEU . 24.4 t80 -55.65 -42.69 75.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -56.21 -56.55 19.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.26 -29.48 58.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.448 ' HB3' ' CG2' ' A' ' 68' ' ' VAL . 72.2 mttt -76.98 -59.24 2.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.915 HG11 HG22 ' A' ' 58' ' ' VAL . 71.9 t -44.81 -41.12 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.944 ' HA ' HD12 ' A' ' 47' ' ' ILE . 20.2 tttt -70.17 -38.96 75.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.698 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -60.19 -32.15 70.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.336 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.576 HD22 ' CD1' ' A' ' 75' ' ' LEU . 10.4 mt -66.4 -34.13 77.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.944 HD12 ' HA ' ' A' ' 44' ' ' LYS . 22.0 mt -64.11 -59.79 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.32 -34.86 66.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.698 HD12 ' O ' ' A' ' 45' ' ' GLN . 26.1 mt -71.7 -69.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 29.3 p -78.64 -70.08 0.52 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.504 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 113.69 18.32 7.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -84.01 -178.8 7.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.338 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -66.02 114.69 5.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.763 ' CG ' HD11 ' A' ' 47' ' ' ILE . 36.0 tt0 -38.36 -58.83 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.49 -50.57 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.685 ' HA ' HD12 ' A' ' 59' ' ' ILE . 4.6 mm-40 -60.2 -41.87 93.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 54' ' ' GLN . 93.8 m -57.51 -39.0 75.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 108.288 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.915 HG22 HG11 ' A' ' 43' ' ' VAL . 65.7 t -63.04 -32.82 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 56' ' ' GLU . 20.4 mt -75.78 -58.15 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.07 -50.68 63.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.636 HD23 ' CE1' ' A' ' 39' ' ' PHE . 11.3 tp -53.87 -66.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -49.86 -61.26 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.6 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -41.3 -53.15 3.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 0.8 OUTLIER -55.0 -69.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 108.265 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 7.1 m-20 156.7 45.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.13 16.04 52.14 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.496 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -96.19 121.99 38.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 0.743 . . . . 0.0 109.337 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.448 ' CG2' ' HB3' ' A' ' 42' ' ' LYS . 2.9 t -68.23 -37.43 78.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.445 ' HA ' HD12 ' A' ' 72' ' ' ILE . 2.3 m-80 -67.45 -62.57 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -47.44 -36.36 9.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -60.89 -53.72 53.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.451 HG22 HD12 ' A' ' 76' ' ' LEU . 5.2 mt -44.65 -46.64 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.59 -39.69 58.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' ALA . 48.3 t -81.5 -52.57 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.576 ' CD1' HD22 ' A' ' 46' ' ' LEU . 14.6 mt -48.91 -53.93 17.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.451 HD12 HG22 ' A' ' 72' ' ' ILE . 59.7 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.14 -59.6 1.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.448 ' CE2' HG13 ' A' ' 58' ' ' VAL . 84.2 t80 -56.63 -40.55 75.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -58.8 -55.48 34.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.35 -32.98 70.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.35 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.496 ' HB3' HG23 ' A' ' 68' ' ' VAL . 86.6 mttt -69.72 -52.08 28.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.511 ' CG1' HG22 ' A' ' 58' ' ' VAL . 2.9 t -45.41 -52.96 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.82 ' HA ' HD12 ' A' ' 47' ' ' ILE . 6.6 tttt -62.16 -45.53 92.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.688 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -52.9 -34.52 55.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.266 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.657 HD11 HD13 ' A' ' 61' ' ' LEU . 9.9 mt -64.94 -33.97 77.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.82 HD12 ' HA ' ' A' ' 44' ' ' LYS . 30.7 mt -64.04 -59.66 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.27 -33.3 67.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.688 HD12 ' O ' ' A' ' 45' ' ' GLN . 24.9 mt -72.57 -70.03 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.605 HG21 HD13 ' A' ' 75' ' ' LEU . 30.1 p -73.79 -70.11 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.371 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.502 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 116.44 14.71 7.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.811 ' HG3' HD22 ' A' ' 75' ' ' LEU . 5.1 mmtt -79.84 -151.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -99.92 126.0 46.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.528 ' O ' HG23 ' A' ' 58' ' ' VAL . 48.2 tt0 -37.99 -63.94 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.482 ' O ' HD12 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -40.29 -60.87 0.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -52.24 -43.5 64.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 92.0 m -58.69 -41.9 87.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 108.33 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 54' ' ' GLN . 59.0 t -60.4 -51.31 74.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.482 HD12 ' O ' ' A' ' 55' ' ' ASP . 3.2 mt -56.47 -58.89 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.17 -58.32 6.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.657 HD13 HD11 ' A' ' 46' ' ' LEU . 8.6 tp -41.04 -56.99 2.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.09 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 63' ' ' ASP . 3.6 t60 -62.48 -56.35 18.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.617 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 62' ' ' HIS . 0.3 OUTLIER -39.99 -54.42 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 70' ' ' ARG . 0.2 OUTLIER -57.8 -70.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 108.309 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 167.85 41.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . 60.22 13.87 30.42 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 110.961 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.501 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -97.34 130.99 44.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.744 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.501 HG22 ' HG ' ' A' ' 46' ' ' LEU . 3.3 t -69.32 -44.6 80.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -59.55 -59.66 5.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.404 ' O ' ' SG ' ' A' ' 64' ' ' CYS . 32.0 mmt180 -51.87 -35.86 46.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -63.54 -55.26 25.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.494 HD11 HG21 ' A' ' 49' ' ' ILE . 5.3 mt -47.76 -30.49 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.01 -39.58 90.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 71' ' ' ALA . 57.6 t -85.59 -50.9 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.811 HD22 ' HG3' ' A' ' 52' ' ' LYS . 7.2 mt -47.09 -61.21 1.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.433 HD12 HG22 ' A' ' 72' ' ' ILE . 51.2 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -52.09 -65.61 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.723 ' O ' HG23 ' A' ' 43' ' ' VAL . 48.5 t80 -57.15 -42.87 81.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -51.05 -58.88 4.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.94 -39.07 58.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.54 ' HD3' HG23 ' A' ' 68' ' ' VAL . 40.4 mttt -65.24 -48.71 72.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 39' ' ' PHE . 93.9 t -47.55 -51.98 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -57.09 -52.92 63.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.483 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -47.53 -40.43 18.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.342 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.568 HD22 ' CD1' ' A' ' 75' ' ' LEU . 18.4 mt -62.78 -60.72 3.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.734 HD11 ' HA ' ' A' ' 54' ' ' GLN . 10.0 mt -48.07 -27.2 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.9 -35.22 20.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 45' ' ' GLN . 10.3 mt -81.97 -71.93 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.995 HG21 HD13 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -57.07 -83.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.422 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 133.85 -9.34 4.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -65.81 -177.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -78.73 156.53 28.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.734 ' HA ' HD11 ' A' ' 47' ' ' ILE . 26.7 tt0 -55.29 -62.61 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.495 ' O ' HD12 ' A' ' 59' ' ' ILE . 48.3 m-20 -40.18 -42.69 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.431 ' HA ' HD12 ' A' ' 59' ' ' ILE . 3.7 mm-40 -70.83 -48.07 56.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 5.6 m -57.05 -44.65 83.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 108.316 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.47 HG13 ' CE1' ' A' ' 39' ' ' PHE . 88.8 t -59.51 -47.31 91.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.495 HD12 ' O ' ' A' ' 55' ' ' ASP . 18.1 mt -59.73 -47.71 90.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.463 ' CB ' ' HG ' ' A' ' 75' ' ' LEU . . . -57.66 -67.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.532 HD21 ' CB ' ' A' ' 42' ' ' LYS . 12.4 tp -42.65 -57.95 2.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -53.31 -45.36 68.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.565 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -41.76 -51.17 4.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.364 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.435 ' SG ' ' CB ' ' A' ' 70' ' ' ARG . 11.8 t -71.2 -69.43 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 108.306 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.451 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 5.4 p-10 166.88 -31.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 151.94 44.2 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.17 108.9 13.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.54 HG23 ' HD3' ' A' ' 42' ' ' LYS . 3.0 t -55.58 -37.27 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -68.07 -64.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.435 ' CB ' ' SG ' ' A' ' 64' ' ' CYS . 8.0 mmt-85 -49.94 -45.77 51.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.507 ' HB2' ' HA ' ' A' ' 61' ' ' LEU . . . -54.34 -48.0 71.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 68' ' ' VAL . 16.5 mt -53.45 -44.86 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -58.43 -22.92 55.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 83.4 t -89.83 -51.14 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.995 HD13 HG21 ' A' ' 50' ' ' THR . 6.2 mt -52.17 -36.44 51.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.6 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.335 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -51.43 -66.69 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.472 ' HE2' HG13 ' A' ' 58' ' ' VAL . 60.9 t80 -56.62 -37.55 70.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.093 . . . . 0.0 111.009 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -56.95 -57.48 12.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 110.333 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.97 -42.72 65.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.251 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.556 ' HB3' HG23 ' A' ' 68' ' ' VAL . 60.1 mttt -61.73 -53.1 60.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.454 ' CG2' ' CE2' ' A' ' 39' ' ' PHE . 11.5 t -45.89 -48.02 5.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 mtpp -61.21 -52.5 64.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.532 ' O ' HD12 ' A' ' 49' ' ' ILE . 1.6 mm-40 -49.44 -39.53 33.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.701 HD11 HD13 ' A' ' 61' ' ' LEU . 8.8 mt -62.37 -62.66 1.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.102 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.775 HD11 ' HA ' ' A' ' 54' ' ' GLN . 12.5 mt -46.69 -30.37 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.68 -37.21 27.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.532 HD12 ' O ' ' A' ' 45' ' ' GLN . 9.6 mt -79.64 -72.22 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.766 HG21 HD13 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -56.4 -83.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.395 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 133.83 -9.11 4.88 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -65.56 -170.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -85.76 160.23 19.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.775 ' HA ' HD11 ' A' ' 47' ' ' ILE . 46.8 tt0 -57.79 -61.71 2.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.21 -48.14 2.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.237 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.454 ' HA ' HD12 ' A' ' 59' ' ' ILE . 1.5 mm-40 -62.71 -52.56 62.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.4 m -54.9 -47.71 73.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 108.325 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.472 HG13 ' HE2' ' A' ' 39' ' ' PHE . 96.5 t -56.01 -49.1 77.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 56' ' ' GLU . 18.6 mt -56.93 -50.19 76.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.87 -63.81 1.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.701 HD13 HD11 ' A' ' 46' ' ' LEU . 12.7 tp -43.22 -59.36 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.599 1.187 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -54.71 -61.75 2.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.601 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.46 -48.9 2.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 1.2 m -59.68 -64.46 0.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 108.308 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 3.5 m-20 156.49 -25.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 135.46 44.19 0.1 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.15 111.22 11.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 0.783 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.556 HG23 ' HB3' ' A' ' 42' ' ' LYS . 17.2 t -54.34 -39.93 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -61.58 -61.58 2.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.03 -49.25 51.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -52.83 -55.81 20.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.465 HG12 HG23 ' A' ' 50' ' ' THR . 19.5 mt -45.0 -52.18 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.09 -36.36 13.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 71' ' ' ALA . 48.2 t -82.06 -53.09 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.766 HD13 HG21 ' A' ' 50' ' ' THR . 14.7 mt -49.02 -57.78 5.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.426 HD12 HG22 ' A' ' 72' ' ' ILE . 42.2 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -53.66 -66.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.43 1.081 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.653 ' CE1' ' CG2' ' A' ' 43' ' ' VAL . 63.8 t80 -54.8 -41.23 70.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -52.45 -58.76 5.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.91 -36.19 59.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.552 ' CB ' HD21 ' A' ' 61' ' ' LEU . 14.1 mttt -66.74 -55.01 16.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.653 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 71.9 t -45.63 -52.17 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -56.48 -50.74 70.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.492 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.4 OUTLIER -50.62 -39.21 49.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.271 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.558 HD22 ' CD1' ' A' ' 75' ' ' LEU . 10.3 mt -63.05 -63.08 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.926 HD11 ' HA ' ' A' ' 54' ' ' GLN . 12.5 mt -48.0 -27.67 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.39 -36.52 24.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.492 HD12 ' O ' ' A' ' 45' ' ' GLN . 10.9 mt -82.24 -72.2 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.693 HG21 HD13 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -57.76 -84.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 137.83 -10.88 3.67 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.13 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.783 ' HG3' HD22 ' A' ' 75' ' ' LEU . 17.4 mmtt -59.39 -171.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -91.25 154.34 19.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.165 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.926 ' HA ' HD11 ' A' ' 47' ' ' ILE . 14.9 tt0 -50.0 -62.52 1.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -41.05 -57.07 2.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.514 ' HA ' HD12 ' A' ' 59' ' ' ILE . 4.0 mm-40 -55.75 -53.97 50.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 68.8 m -52.13 -61.78 2.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 108.321 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.485 HG13 ' CE1' ' A' ' 39' ' ' PHE . 64.5 t -41.68 -49.47 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 56' ' ' GLU . 24.2 mt -56.86 -50.42 75.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.459 ' CB ' ' HG ' ' A' ' 75' ' ' LEU . . . -56.02 -62.35 1.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.552 HD21 ' CB ' ' A' ' 42' ' ' LYS . 12.6 tp -45.78 -59.61 2.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' ASP . 24.2 t60 -51.78 -47.66 64.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.635 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' HIS . 9.1 t0 -40.37 -51.53 2.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.546 1.153 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.467 ' SG ' ' CB ' ' A' ' 70' ' ' ARG . 46.3 t -70.45 -65.82 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 108.302 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 2.3 m-20 158.85 -27.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.86 44.54 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.444 ' HB3' ' CG ' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -125.52 95.84 4.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.475 HG23 ' HB3' ' A' ' 42' ' ' LYS . 3.0 t -44.39 -43.72 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.16 -60.83 3.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.467 ' CB ' ' SG ' ' A' ' 64' ' ' CYS . 19.8 mmt180 -51.6 -48.51 63.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.479 ' HB2' ' HA ' ' A' ' 61' ' ' LEU . . . -48.87 -53.32 19.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.46 HG12 HG23 ' A' ' 50' ' ' THR . 12.1 mt -46.43 -53.59 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -48.93 -31.57 7.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 71' ' ' ALA . 50.2 t -83.64 -53.97 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.783 HD22 ' HG3' ' A' ' 52' ' ' LYS . 4.6 mt -46.66 -57.81 4.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.407 HD12 HG22 ' A' ' 72' ' ' ILE . 19.9 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -56.49 -67.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.528 ' CE2' ' CG2' ' A' ' 43' ' ' VAL . 65.2 t80 -55.82 -40.53 72.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -53.86 -58.2 8.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.83 -37.16 50.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.675 ' HB3' HG23 ' A' ' 68' ' ' VAL . 51.8 mttt -67.94 -57.91 5.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.528 ' CG2' ' CE2' ' A' ' 39' ' ' PHE . 71.4 t -42.13 -45.74 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -63.98 -55.87 19.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.244 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.428 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.9 OUTLIER -46.51 -38.38 9.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.729 ' HG ' HG22 ' A' ' 68' ' ' VAL . 10.7 mt -62.33 -61.74 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.868 HD11 ' HA ' ' A' ' 54' ' ' GLN . 27.9 mt -47.85 -27.77 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.44 -35.91 22.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 46' ' ' LEU . 11.6 mt -81.72 -72.16 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.734 HG21 HD13 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -56.86 -83.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.389 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 136.01 -11.09 4.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -61.63 -170.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -89.33 156.74 18.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.868 ' HA ' HD11 ' A' ' 47' ' ' ILE . 26.5 tt0 -53.44 -61.75 2.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -40.04 -53.16 2.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.49 ' HA ' HD12 ' A' ' 59' ' ' ILE . 3.7 mm-40 -56.21 -54.06 49.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 65.0 m -54.71 -50.93 67.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 108.322 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 78.5 t -51.62 -31.57 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 56' ' ' GLU . 19.7 mt -80.66 -53.28 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.25 -52.79 50.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.51 HD13 HD11 ' A' ' 46' ' ' LEU . 7.5 tp -53.32 -61.51 2.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -50.79 -57.81 7.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.591 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -41.4 -52.03 3.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.467 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 1.1 m -58.9 -66.26 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 108.328 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 1.0 OUTLIER 159.2 -27.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.58 44.95 0.08 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.558 1.161 . . . . 0.0 111.055 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.17 110.71 10.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 0.778 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.729 HG22 ' HG ' ' A' ' 46' ' ' LEU . 2.9 t -52.23 -40.56 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -62.87 -62.16 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -49.07 -47.61 44.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.09 -53.33 54.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.645 HG12 HG23 ' A' ' 50' ' ' THR . 8.1 mt -47.03 -54.54 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -46.54 -29.74 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.8 t -88.45 -52.43 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.734 HD13 HG21 ' A' ' 50' ' ' THR . 10.2 mt -49.61 -54.08 20.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 62.1 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -45.88 -59.55 2.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.738 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 74.2 t80 -56.99 -40.86 77.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -55.17 -57.5 11.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 110.236 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.89 -33.07 55.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.641 ' HB3' HD21 ' A' ' 61' ' ' LEU . 35.5 mttt -71.72 -58.63 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.681 HG21 ' CE2' ' A' ' 39' ' ' PHE . 4.6 t -42.8 -54.43 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -53.88 -50.48 66.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.486 ' OE1' HD11 ' A' ' 49' ' ' ILE . 1.2 mm-40 -49.64 -41.37 42.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' THR . 15.5 mt -62.1 -60.07 4.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.614 HD11 ' HA ' ' A' ' 54' ' ' GLN . 16.6 mt -48.97 -24.83 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.83 -33.8 17.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.486 HD11 ' OE1' ' A' ' 45' ' ' GLN . 11.8 mt -83.97 -71.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.172 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.743 HG21 HD13 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -58.06 -83.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 132.61 -7.19 5.25 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.473 ' HG3' HD22 ' A' ' 75' ' ' LEU . 3.7 mmtp -65.85 -169.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -86.63 152.8 22.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.614 ' HA ' HD11 ' A' ' 47' ' ' ILE . 24.2 tt0 -54.92 -60.0 3.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' GLN . 23.8 m-20 -39.86 -57.39 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.814 ' HA ' HD12 ' A' ' 59' ' ' ILE . 2.5 mm-40 -57.46 -51.81 67.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 98.1 m -51.36 -49.35 61.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.738 HG13 ' CZ ' ' A' ' 39' ' ' PHE . 97.5 t -54.5 -46.69 71.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.814 HD12 ' HA ' ' A' ' 56' ' ' GLU . 45.6 mt -53.85 -54.6 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.61 -62.05 2.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.641 HD21 ' HB3' ' A' ' 42' ' ' LYS . 12.9 tp -47.56 -64.03 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -47.21 -50.81 20.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.613 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -56.27 -47.36 78.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 38.6 m -67.9 -19.87 65.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 108.293 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 16.7 t30 82.03 62.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 59.77 41.17 97.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 71' ' ' ALA . 0.7 OUTLIER -113.49 107.91 16.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.714 ' O ' HD12 ' A' ' 72' ' ' ILE . 2.9 t -75.15 -37.09 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -67.04 -66.52 0.55 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.58 ' O ' HG23 ' A' ' 74' ' ' VAL . 7.9 mtt180 -48.47 -44.56 35.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 67' ' ' ASP . . . -55.72 -48.45 75.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.714 HD12 ' O ' ' A' ' 68' ' ' VAL . 8.8 mt -54.53 -32.87 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.29 -34.2 63.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 70' ' ' ARG . 41.0 t -77.44 -56.59 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.743 HD13 HG21 ' A' ' 50' ' ' THR . 8.0 mt -47.53 -52.57 17.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 42.0 mt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -96.3 61.77 2.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 0.736 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 p -156.09 -50.65 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 109.949 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.76 -64.54 1.2 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 51.37 94.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.767 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -148.77 88.32 1.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.74 -128.72 1.25 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.55 1.156 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -137.65 -58.98 0.68 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 109.267 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -175.06 129.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -93.26 97.1 10.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -152.71 130.37 11.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.0 p -103.45 125.99 50.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.383 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.5 98.91 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 110.246 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -167.51 -47.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.614 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.58 145.55 47.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -99.17 168.93 9.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.359 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 63.19 149.23 0.1 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -171.45 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.529 1.805 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 55.91 53.25 9.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.265 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.07 38.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.6 m -139.16 -75.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.415 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.38 -50.9 5.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -43.9 -58.83 2.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -39.0 -62.0 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.247 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 30.6 mt -41.54 -51.43 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.85 -38.17 85.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.288 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.3 mt -56.48 -63.2 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.411 ' CB ' ' OD1' ' A' ' 55' ' ' ASP . . . -55.08 -34.49 63.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -67.93 -33.02 73.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 19.8 mtm -84.94 -41.05 16.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.553 ' HA ' ' CD2' ' A' ' 34' ' ' HIS . 3.5 mt -67.55 -26.8 36.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.359 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.4 t -56.06 -49.73 72.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.0 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -47.92 -55.63 9.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.553 ' CD2' ' HA ' ' A' ' 31' ' ' ILE . 12.7 p80 -92.37 100.37 12.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.601 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -147.81 168.21 22.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -148.4 163.81 36.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.39 -41.65 98.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -53.71 -65.75 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.52 ' CE1' HG21 ' A' ' 43' ' ' VAL . 55.2 t80 -53.29 -43.56 67.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.973 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -52.83 -57.86 8.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.86 -40.43 56.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.478 ' HB3' HG23 ' A' ' 68' ' ' VAL . 33.7 mttt -64.22 -53.03 55.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.526 HG21 HG22 ' A' ' 58' ' ' VAL . 4.8 t -44.8 -54.48 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.5 mtpp -54.75 -41.89 70.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.756 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -59.69 -36.66 76.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.347 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.793 HD21 ' HB3' ' A' ' 71' ' ' ALA . 19.5 mt -64.97 -45.98 83.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 51' ' ' GLY . 12.7 mt -62.47 -56.41 17.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.19 -43.33 64.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.756 HD12 ' O ' ' A' ' 45' ' ' GLN . 20.9 mt -69.14 -70.11 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.482 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 30.3 p -80.52 -69.74 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.407 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.482 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 106.62 27.51 5.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -84.41 165.38 18.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -44.86 118.93 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.417 ' CB ' HD11 ' A' ' 47' ' ' ILE . 8.9 tt0 -39.02 -60.13 0.9 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.411 ' OD1' ' CB ' ' A' ' 28' ' ' ALA . 61.0 m-20 -42.5 -51.63 4.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.506 ' HA ' HD12 ' A' ' 59' ' ' ILE . 7.7 mm-40 -57.69 -44.04 85.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 57.9 m -58.89 -43.53 90.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 108.299 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.526 HG22 HG21 ' A' ' 43' ' ' VAL . 56.0 t -61.94 -39.61 84.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 56' ' ' GLU . 11.0 mt -70.83 -53.53 21.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.5 -58.93 4.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.471 HD13 HD11 ' A' ' 46' ' ' LEU . 9.1 tp -46.46 -58.7 3.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -54.31 -58.1 8.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.615 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.42 -48.15 2.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 0.8 OUTLIER -61.92 -62.47 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 108.296 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 5.9 m-20 156.4 -25.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 133.74 43.89 0.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.502 1.126 . . . . 0.0 111.033 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.69 112.57 13.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.478 HG23 ' HB3' ' A' ' 42' ' ' LYS . 4.1 t -51.91 -45.21 39.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -60.67 -62.7 1.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -46.68 -43.87 18.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.793 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -59.92 -57.03 14.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.634 HD11 HD13 ' A' ' 49' ' ' ILE . 11.1 mt -45.96 -45.42 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.1 -37.51 61.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 71' ' ' ALA . 49.9 t -83.07 -52.36 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.667 HD12 HD22 ' A' ' 46' ' ' LEU . 8.2 mt -48.01 -56.57 7.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 41.8 mt -41.52 -56.89 2.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -124.06 -92.97 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 124.45 -167.3 16.8 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -60.12 133.53 90.26 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 66.05 6.05 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.448 1.762 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 46.92 70.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.1 t -97.29 143.11 28.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.352 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -69.03 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.572 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 t -143.36 123.04 13.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -169.36 127.27 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 108.009 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 64.16 153.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 60.69 148.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 68.5 t -86.88 127.77 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -96.33 96.69 1.95 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -142.18 156.8 45.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -111.05 148.46 32.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -151.1 167.68 26.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 166.09 155.38 8.76 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.3 p -103.75 -27.13 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.3 t -163.89 -65.22 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.027 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -168.27 -128.08 0.97 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 0.0 110.963 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -65.61 146.0 55.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 99' ' ' SER . 1.6 ptmm? -68.93 113.72 6.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 98' ' ' LYS . 3.1 t 83.97 145.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.032 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 142.76 -85.18 0.19 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.151 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 88.97 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.557 1.819 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.0 p -124.4 -64.78 1.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.97 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.6 m -157.26 150.85 24.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.035 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 t -94.34 -58.58 2.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 110.017 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.85 111.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.046 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.26 -150.68 44.16 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.487 1.117 . . . . 0.0 110.943 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.8 p -45.49 164.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 0.783 . . . . 0.0 110.039 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 m -110.21 170.37 8.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.962 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.94 -73.2 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.3 p30 -79.84 -175.37 4.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.425 0.721 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -126.07 50.95 1.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 67.43 154.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.83 -60.31 1.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.241 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.5 m -61.81 -64.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.398 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.57 131.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.347 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -110.67 155.88 21.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.606 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 mttp -70.94 -63.06 1.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.05 169.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -78.69 118.91 75.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 179.65 5.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.481 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 4.0 tt0 62.43 70.12 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 19' ' ' GLN . . . 176.58 -178.78 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.7 m 62.03 -81.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.413 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 20' ' ' ALA . . . -84.46 -38.22 20.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -58.56 -58.25 9.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -42.06 -54.44 3.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 92.1 mt -43.43 -65.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 30' ' ' MET . 12.5 mtt180 -54.53 -44.47 72.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.429 ' C ' HD12 ' A' ' 31' ' ' ILE . 10.3 mt -52.72 -66.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.27 -30.26 7.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -76.07 -33.16 59.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.338 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' LEU . 1.4 mmm -81.99 -41.26 20.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.429 HD12 ' C ' ' A' ' 27' ' ' LEU . 1.8 mt -60.14 -59.94 3.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.44 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 58.1 p -40.8 -52.11 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.041 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.16 -52.62 64.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -91.19 92.45 8.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.626 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 32' ' ' SER . 25.4 p30 -157.08 172.44 18.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -117.47 173.45 6.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.57 -39.2 93.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -52.1 -62.61 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.468 ' CE2' HG13 ' A' ' 58' ' ' VAL . 81.7 t80 -53.13 -40.37 64.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -57.06 -56.8 17.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.49 -39.82 64.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.684 ' HB3' HG23 ' A' ' 68' ' ' VAL . 31.4 mttt -61.3 -54.3 45.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.606 ' CG2' HG22 ' A' ' 58' ' ' VAL . 24.7 t -42.2 -57.54 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -53.33 -46.73 69.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.474 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -52.18 -40.62 61.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.617 HD22 ' CD1' ' A' ' 75' ' ' LEU . 12.4 mt -63.46 -44.9 93.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.415 HD11 ' CB ' ' A' ' 54' ' ' GLN . 13.0 mt -62.94 -56.05 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.21 -38.97 71.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.474 ' CG1' ' O ' ' A' ' 45' ' ' GLN . 48.5 mt -69.2 -69.69 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.484 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 32.1 p -85.23 -69.2 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.422 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.484 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 109.84 22.23 6.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.572 1.17 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.492 ' HG3' HD22 ' A' ' 75' ' ' LEU . 17.4 mmtt -75.73 176.57 7.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 0.0 109.342 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -56.32 118.06 4.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.415 ' CB ' HD11 ' A' ' 47' ' ' ILE . 35.7 tt0 -38.84 -59.33 0.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.58 -49.79 13.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -59.7 -47.36 85.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 74.5 m -58.82 -51.23 70.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 108.321 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.606 HG22 ' CG2' ' A' ' 43' ' ' VAL . 79.3 t -58.02 -35.76 53.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.7 mt -71.79 -62.99 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -49.59 -46.82 49.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 67' ' ' ASP . 8.5 tp -47.18 -66.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -60.73 -54.55 43.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.609 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -40.04 -46.14 2.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -68.59 -70.32 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 108.306 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.0 t30 174.5 40.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 56.58 16.74 17.34 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.536 1.147 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.504 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -100.61 134.31 43.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 0.802 . . . . 0.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.684 HG23 ' HB3' ' A' ' 42' ' ' LYS . 3.6 t -68.54 -36.84 76.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.21 -64.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -43.02 -37.03 1.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.472 ' CB ' HD11 ' A' ' 46' ' ' LEU . . . -65.26 -58.07 6.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.496 HG22 HD12 ' A' ' 76' ' ' LEU . 28.2 mt -41.28 -40.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.15 -49.36 69.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 71' ' ' ALA . 55.0 t -78.66 -51.01 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.617 ' CD1' HD22 ' A' ' 46' ' ' LEU . 8.1 mt -45.48 -60.83 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.496 HD12 HG22 ' A' ' 72' ' ' ILE . 42.7 mt -47.1 -61.58 1.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -44.04 -58.31 2.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.292 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.95 96.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.543 1.152 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -121.87 133.62 24.37 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.531 0.783 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 55.87 4.05 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.466 1.772 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.6 t70 64.04 83.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.611 HG22 ' O ' ' A' ' 82' ' ' THR . 1.3 m -143.94 74.96 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.371 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -125.7 115.72 20.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.531 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 49.1 m -62.24 100.36 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -47.4 161.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 108.04 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 46.96 74.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.35 101.64 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.4 p -135.29 123.94 40.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 61.83 -105.42 0.92 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.75 132.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt 61.55 95.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.33 147.71 52.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -127.14 -135.2 4.1 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 24.5 t 40.93 85.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 109.251 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.88 87.32 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.0 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -83.69 -67.19 1.46 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -150.83 -59.28 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 0.774 . . . . 0.0 110.314 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 99' ' ' SER . 0.0 OUTLIER 66.94 98.62 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 98' ' ' LYS . 1.1 t 83.72 -53.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 110.031 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 93.34 157.32 33.3 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.469 1.106 . . . . 0.0 111.049 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 174.67 12.37 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.426 1.75 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.94 166.34 11.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.028 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.37 104.63 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 110.02 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.11 166.49 11.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 0.739 . . . . 0.0 109.995 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 p 178.19 -62.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.99 -148.78 5.15 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.437 1.086 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.91 104.5 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 109.964 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.0 p -148.75 158.16 43.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.985 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.49 -11.45 19.04 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -142.61 65.68 1.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.434 0.726 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.19 126.84 2.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -50.39 138.41 17.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.27 168.63 11.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.94 136.17 54.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 110.355 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -179.95 116.35 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 -52.16 -43.16 63.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.598 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -66.01 159.33 26.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -105.56 123.46 47.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -114.43 149.48 42.24 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 143.51 29.23 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.03 178.49 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.463 ' O ' ' CB ' ' A' ' 21' ' ' THR . . . -40.53 158.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.162 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.463 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 2.6 m 80.3 -72.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.35 -38.37 63.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -71.85 -47.87 49.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.21 -51.43 44.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 48.0 mt -47.36 -48.77 9.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.354 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -69.22 -31.26 69.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 30' ' ' MET . 9.8 mt -67.99 -66.35 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.27 -33.4 8.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -70.04 -33.88 72.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' LEU . 22.9 mtp -82.37 -42.05 19.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 111.014 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.436 HD12 ' C ' ' A' ' 27' ' ' LEU . 1.5 mt -57.24 -55.8 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 t -43.76 -58.42 2.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.977 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.91 -52.03 5.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -95.39 66.58 2.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.576 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -112.08 163.01 14.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -129.51 166.84 18.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.5 -49.31 78.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -47.35 -64.88 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.699 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 63.0 t80 -53.0 -42.8 65.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -55.45 -56.8 16.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.132 . . . . 0.0 110.291 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.44 -40.49 62.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.671 ' HB3' HG23 ' A' ' 68' ' ' VAL . 34.0 mttt -60.55 -55.15 36.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.546 ' CG2' HG22 ' A' ' 58' ' ' VAL . 48.6 t -43.33 -55.6 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.143 . . . . 0.0 109.359 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -53.59 -49.69 67.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.576 ' O ' HD12 ' A' ' 49' ' ' ILE . 1.3 mm-40 -50.45 -41.82 53.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.653 HD22 ' CD1' ' A' ' 75' ' ' LEU . 16.5 mt -60.96 -46.11 92.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.431 HD11 ' CB ' ' A' ' 54' ' ' GLN . 13.1 mt -62.58 -50.53 79.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -41.81 93.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.576 HD12 ' O ' ' A' ' 45' ' ' GLN . 17.6 mt -68.37 -69.84 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.492 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 44.1 p -82.23 -75.19 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.492 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 113.81 26.46 3.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -83.49 169.38 15.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' GLN . 57.8 m-20 -46.66 119.2 2.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.431 ' CB ' HD11 ' A' ' 47' ' ' ILE . 46.6 tt0 -38.76 -59.65 0.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -44.99 -51.31 10.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.433 ' HA ' HD12 ' A' ' 59' ' ' ILE . 6.2 mm-40 -57.23 -44.91 84.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 78.1 m -58.43 -52.38 65.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.291 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.699 HG13 ' CZ ' ' A' ' 39' ' ' PHE . 87.9 t -56.49 -32.27 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 56' ' ' GLU . 23.7 mt -75.98 -65.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.03 -33.22 4.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.549 ' HA ' ' HB2' ' A' ' 71' ' ' ALA . 6.7 tp -65.56 -66.34 0.56 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -57.34 -53.53 57.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.559 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -40.6 -47.77 2.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -70.18 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 108.302 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 169.65 41.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.18 12.19 36.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.448 1.092 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.501 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -96.29 131.18 43.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.751 . . . . 0.0 109.297 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.671 HG23 ' HB3' ' A' ' 42' ' ' LYS . 3.3 t -71.3 -40.09 73.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.418 1.074 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.73 -59.43 4.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -48.16 -46.47 34.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.142 . . . . 0.0 110.338 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.549 ' HB2' ' HA ' ' A' ' 61' ' ' LEU . . . -59.08 -52.02 67.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.509 HD11 HD13 ' A' ' 49' ' ' ILE . 13.4 mt -45.16 -48.34 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -50.54 -37.22 38.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 71' ' ' ALA . 62.0 t -83.49 -52.55 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.353 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.653 ' CD1' HD22 ' A' ' 46' ' ' LEU . 13.6 mt -49.31 -49.93 41.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 77' ' ' GLU . 35.1 mt -56.48 -64.51 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 76' ' ' LEU . 6.4 pt-20 37.44 63.02 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -108.83 63.42 0.28 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.479 1.112 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 82' ' ' THR . 63.3 m-20 62.58 133.43 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -8.96 20.57 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.574 1.828 . . . . 0.0 111.015 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -159.08 -46.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.67 HG22 ' N ' ' A' ' 83' ' ' HIS . 0.9 OUTLIER 167.98 -77.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 110.444 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.67 ' N ' HG22 ' A' ' 82' ' ' THR . 0.0 OUTLIER 63.65 -79.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.587 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 82' ' ' THR . 20.7 m -157.73 171.83 19.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.412 ' O ' ' CB ' ' A' ' 86' ' ' GLU . 11.8 p-90 -154.2 172.65 17.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 107.968 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.412 ' CB ' ' O ' ' A' ' 85' ' ' TRP . 0.7 OUTLIER 79.5 132.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.287 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.1 92.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.6 HG22 ' H ' ' A' ' 89' ' ' GLY . 3.4 p -153.09 176.47 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.6 ' H ' HG22 ' A' ' 88' ' ' VAL . . . 166.27 105.48 0.19 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.86 139.13 1.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -173.45 132.41 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -172.24 151.75 2.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.34 104.19 0.24 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 94' ' ' VAL . 28.5 m -138.34 85.22 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 28.2 p -177.65 154.79 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 110.006 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 141.07 139.51 3.7 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.447 1.092 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 178.33 104.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.0 177.7 8.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 68.5 m -111.02 112.92 25.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.989 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 109.34 -84.53 0.37 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 69.21 5.6 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.4 83.67 2.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.994 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.0 t -179.76 114.68 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.001 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.94 0 O-C-N 124.546 1.154 . . . . 0.0 111.035 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -111.1 144.13 40.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 109.998 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 m -122.59 169.84 10.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.031 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.37 -157.3 7.1 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 111.039 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.8 p -174.74 149.1 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 110.013 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.1 m -150.33 167.92 25.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.98 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.9 -169.95 28.13 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 110.94 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -42.64 140.0 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -177.4 168.82 2.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.9 m120 61.75 144.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 49.87 71.41 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.8 m -150.88 97.68 2.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.424 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -57.23 127.5 32.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -77.73 -66.53 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.609 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 ptmt 40.71 46.29 2.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.96 169.98 16.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.67 165.59 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.265 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -173.12 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.525 1.802 . . . . 0.0 110.975 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.446 ' CG ' ' HG2' ' A' ' 23' ' ' GLU . 0.7 OUTLIER -123.11 58.07 1.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.82 58.99 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.2 m -159.41 -71.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.392 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.27 -51.6 4.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.446 ' HG2' ' CG ' ' A' ' 19' ' ' GLN . 1.5 tp10 -44.45 -58.15 3.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.233 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -39.69 -58.99 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 110.349 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 68.7 mt -42.26 -59.0 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -59.86 -41.14 90.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.3 mt -55.24 -65.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.33 -26.87 5.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -78.71 -33.77 46.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.256 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -46.3 14.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.8 mt -57.82 -53.91 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.4 p -44.73 -59.54 2.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.987 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -41.32 -49.88 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -91.85 67.17 5.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.624 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -116.24 172.17 7.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -150.36 155.5 39.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.68 -51.52 12.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -47.71 -65.75 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.718 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 46.4 t80 -52.93 -40.83 63.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -56.73 -56.68 18.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.266 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.71 -36.91 62.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.631 ' HB3' HD21 ' A' ' 61' ' ' LEU . 31.6 mttt -65.27 -56.35 13.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.582 ' CG2' HG22 ' A' ' 58' ' ' VAL . 30.0 t -43.1 -51.56 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -57.76 -44.31 86.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.636 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.4 OUTLIER -55.57 -37.66 68.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.343 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.666 HD22 HD12 ' A' ' 75' ' ' LEU . 14.3 mt -65.47 -45.14 84.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 51' ' ' GLY . 13.2 mt -63.54 -57.37 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.31 -41.02 65.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.636 HD12 ' O ' ' A' ' 45' ' ' GLN . 41.0 mt -68.92 -69.68 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 31.3 p -81.88 -69.62 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.471 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 108.13 22.51 7.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.553 1.158 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.646 ' HG3' HD22 ' A' ' 75' ' ' LEU . 8.5 mmtt -77.42 -177.78 4.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 0.753 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -61.33 118.85 7.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.433 ' CB ' HD11 ' A' ' 47' ' ' ILE . 23.9 tt0 -39.02 -59.99 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -42.42 -48.05 5.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.608 ' HA ' HD12 ' A' ' 59' ' ' ILE . 9.0 mm-40 -63.56 -53.41 52.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 98.9 m -48.35 -46.15 36.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 108.315 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.718 HG13 ' CZ ' ' A' ' 39' ' ' PHE . 71.1 t -62.62 -36.92 77.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' ' 56' ' ' GLU . 24.6 mt -67.22 -63.51 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.77 -49.81 14.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.631 HD21 ' HB3' ' A' ' 42' ' ' LYS . 4.8 tp -49.58 -61.99 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' ASP . 4.1 t60 -58.21 -59.41 5.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.593 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' HIS . 1.3 t0 -40.4 -47.6 2.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 1.4 m -64.17 -69.16 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 108.269 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 7.7 m-20 157.54 45.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.81 14.08 54.11 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.474 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -95.76 133.97 39.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 0.774 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.515 HG23 ' HD3' ' A' ' 42' ' ' LYS . 2.7 t -78.48 -38.27 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -64.84 -64.53 0.85 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -45.41 -43.6 11.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.484 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -58.48 -55.03 40.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.502 HD11 HD13 ' A' ' 49' ' ' ILE . 8.1 mt -47.18 -43.26 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.57 -39.79 68.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.1 t -81.06 -52.82 13.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.666 HD12 HD22 ' A' ' 46' ' ' LEU . 9.8 mt -45.5 -53.56 8.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.8 mt -56.74 -63.62 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.66 -63.35 0.98 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 89.36 173.98 46.12 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -173.49 128.61 0.5 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -33.17 4.77 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.519 1.8 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -152.73 -55.65 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m 48.6 95.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.379 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.513 ' CE1' ' HB3' ' A' ' 86' ' ' GLU . 2.8 p80 -134.93 139.94 45.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.626 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.1 t -143.8 74.94 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.013 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -171.78 -49.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 108.016 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.513 ' HB3' ' CE1' ' A' ' 83' ' ' HIS . 0.6 OUTLIER -58.25 112.44 1.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 42.26 85.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.4 HG13 ' N ' ' A' ' 89' ' ' GLY . 7.3 p -124.53 -47.48 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.4 ' N ' HG13 ' A' ' 88' ' ' VAL . . . -73.61 60.55 2.02 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.62 73.99 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt 42.29 64.88 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.97 134.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -156.57 78.66 0.19 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 68.9 t 56.09 79.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.3 t -50.91 -58.29 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.026 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 97.07 107.74 2.5 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.7 146.53 7.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 0.739 . . . . 0.0 110.272 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -130.62 108.9 10.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 90.2 p -171.02 168.64 6.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.98 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -124.94 96.52 0.51 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 164.02 34.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.495 1.787 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 27.8 p -131.34 124.41 30.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.029 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.0 t -108.77 136.78 47.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.006 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 t -78.65 89.2 4.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.995 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -153.07 114.41 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.004 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.41 153.37 16.86 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.1 p -137.47 129.73 29.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 0.729 . . . . 0.0 109.985 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -107.2 123.6 48.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.964 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.05 -99.86 1.58 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -154.67 -51.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.792 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -141.06 -60.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -162.19 135.73 6.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -172.89 78.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.8 p -87.99 99.08 11.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 110.431 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -50.89 172.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -156.36 94.64 1.51 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.635 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 58.85 86.88 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.487 ' O ' ' CB ' ' A' ' 17' ' ' ARG . 5.6 mm-40 -85.87 -172.84 4.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.321 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.487 ' CB ' ' O ' ' A' ' 16' ' ' GLN . 0.5 OUTLIER 82.95 121.09 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.329 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 124.22 8.48 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.498 1.789 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -146.11 17.95 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.18 26.05 2.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -123.19 -74.7 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.46 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.73 -50.51 5.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.52 -53.21 15.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.43 -59.71 1.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 67.3 mt -41.1 -54.87 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -64.28 -43.39 94.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.458 ' O ' HD12 ' A' ' 31' ' ' ILE . 10.3 mt -52.48 -62.02 1.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.95 -31.08 38.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -73.58 -34.51 65.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 55.9 mtp -81.53 -41.89 20.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 111.037 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.458 HD12 ' O ' ' A' ' 27' ' ' LEU . 2.2 mt -58.25 -46.63 88.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.5 t -52.78 -52.0 58.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.002 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.19 -44.1 52.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -99.28 71.27 1.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.59 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -124.94 173.61 8.53 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -158.1 163.98 37.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.88 -51.19 31.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -47.33 -62.47 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.496 ' O ' HG23 ' A' ' 43' ' ' VAL . 71.5 t80 -57.54 -41.19 80.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -56.97 -56.29 23.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.75 -35.48 68.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.444 ' HB3' HD21 ' A' ' 61' ' ' LEU . 29.0 mttt -64.83 -53.21 50.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 39' ' ' PHE . 50.4 t -42.77 -57.98 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -52.41 -48.79 65.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.631 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -49.74 -40.87 42.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 110.289 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.664 HD22 ' CD1' ' A' ' 75' ' ' LEU . 13.3 mt -63.81 -44.64 92.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 51' ' ' GLY . 12.1 mt -61.98 -58.5 7.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.23 -42.08 66.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.631 HD12 ' O ' ' A' ' 45' ' ' GLN . 27.2 mt -64.38 -69.69 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.487 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 32.8 p -86.52 -69.59 0.66 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.406 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.487 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 111.94 24.08 5.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.551 ' HG3' HD22 ' A' ' 75' ' ' LEU . 19.3 mmtt -78.55 167.36 21.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -48.54 119.13 2.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.435 ' CB ' HD11 ' A' ' 47' ' ' ILE . 50.8 tt0 -38.75 -55.95 1.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -46.69 -49.29 19.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.36 -48.5 81.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.267 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 59.2 m -56.92 -54.27 48.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 108.343 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.472 HG13 ' CE2' ' A' ' 39' ' ' PHE . 79.3 t -52.89 -31.96 17.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 60' ' ' ALA . 26.5 mt -77.64 -70.32 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 59' ' ' ILE . . . -40.03 -47.24 2.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 67' ' ' ASP . 5.8 tp -46.98 -66.3 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 63' ' ' ASP . 4.7 t60 -62.6 -52.39 63.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 109.589 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' HIS . 0.7 OUTLIER -40.15 -45.73 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -70.67 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 108.284 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.6 t30 176.68 38.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.421 ' C ' ' CD1' ' A' ' 61' ' ' LEU . . . 58.87 14.84 25.14 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.114 . . . . 0.0 111.029 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.497 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -99.24 140.97 32.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.76 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.44 HG22 ' HG ' ' A' ' 46' ' ' LEU . 3.1 t -73.87 -45.56 49.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -61.55 -61.85 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -45.94 -38.09 7.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.246 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.574 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -66.13 -55.51 16.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.627 HD11 HD13 ' A' ' 49' ' ' ILE . 9.7 mt -46.18 -35.19 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.49 -41.34 94.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 71' ' ' ALA . 59.7 t -83.86 -50.91 14.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.664 ' CD1' HD22 ' A' ' 46' ' ' LEU . 7.6 mt -45.03 -54.12 6.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.7 mt -65.66 -60.7 2.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 41.26 33.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -105.49 68.26 0.25 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -98.92 145.23 29.61 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -57.84 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.473 1.775 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -162.42 77.41 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 m -56.31 144.39 30.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.376 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -62.46 -68.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.588 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.56 167.59 18.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.985 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -126.25 160.02 31.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 108.046 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.94 170.59 13.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -96.26 49.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 74.5 t -47.5 -52.81 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -172.08 85.05 0.08 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.85 140.42 53.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.764 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -154.37 175.42 13.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.89 -71.15 0.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 127.46 130.94 3.41 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.1 p -171.32 143.67 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.447 0.734 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.95 149.34 47.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.37 103.48 0.35 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.138 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.42 151.53 2.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 0.757 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.32 86.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.2 t -54.86 -65.25 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.007 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -103.42 157.31 17.67 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -60.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.529 1.805 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 77.3 p -104.37 143.69 32.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.99 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.6 m -152.38 161.68 42.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.99 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 m -128.22 103.13 7.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.0 p -135.91 140.76 44.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.989 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.29 -167.43 12.33 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.37 -58.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 0.795 . . . . 0.0 110.025 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.1 p -132.43 130.52 40.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.4 -98.27 0.04 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -172.08 163.74 6.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 0.767 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 57.56 76.28 0.33 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -91.63 -55.23 3.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 47.02 75.21 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.2 p -54.71 124.07 15.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.403 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 62.95 124.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -52.64 -63.53 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.637 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.71 -65.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 58.59 94.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -46.77 142.01 5.11 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -177.84 3.74 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.738 ' HG3' HD12 ' A' ' 27' ' ' LEU . 14.8 tt0 39.08 72.04 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.67 -48.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.354 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.2 p -74.74 -164.18 0.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.382 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.512 ' HA ' HD12 ' A' ' 25' ' ' ILE . . . -41.08 -32.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.72 -54.53 32.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.443 ' OE1' ' HB2' ' A' ' 28' ' ' ALA . 1.3 tm0? -41.54 -59.58 1.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 22' ' ' ALA . 9.0 mt -41.14 -59.26 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -60.71 -44.46 96.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.738 HD12 ' HG3' ' A' ' 19' ' ' GLN . 10.3 mt -53.29 -62.9 1.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.443 ' HB2' ' OE1' ' A' ' 24' ' ' GLN . . . -48.6 -34.91 12.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -72.52 -32.52 66.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.43 ' N ' ' O ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -81.86 -40.26 22.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.995 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.445 HD12 ' C ' ' A' ' 27' ' ' LEU . 2.2 mt -60.05 -41.09 85.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.3 t -52.85 -52.65 56.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.34 -43.01 22.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -111.2 73.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.595 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -115.67 165.25 13.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -132.49 157.0 45.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.9 -33.58 64.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -52.27 -71.69 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.54 ' CE2' ' CG2' ' A' ' 43' ' ' VAL . 71.1 t80 -55.15 -48.96 72.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 111.039 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.97 -61.84 1.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.9 -47.14 32.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.769 ' HB3' HG23 ' A' ' 68' ' ' VAL . 17.0 mttt -54.71 -52.84 61.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.569 HG21 HG22 ' A' ' 58' ' ' VAL . 39.0 t -47.25 -56.89 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -52.91 -47.92 67.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.492 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 2.0 mm-40 -50.91 -38.89 52.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.665 HD22 ' CD1' ' A' ' 75' ' ' LEU . 12.8 mt -65.91 -47.3 75.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.53 HD11 ' HG3' ' A' ' 54' ' ' GLN . 18.8 mt -63.26 -48.15 88.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.31 -40.02 96.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 45' ' ' GLN . 44.0 mt -70.59 -69.9 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.48 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 33.5 p -85.92 -70.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.372 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.48 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 108.66 25.89 5.54 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.545 ' HB2' HD22 ' A' ' 75' ' ' LEU . 12.2 mmtt -77.22 173.15 12.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.751 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -46.59 115.68 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.53 ' HG3' HD11 ' A' ' 47' ' ' ILE . 26.7 tt0 -38.47 -58.04 1.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.606 ' O ' HD12 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -47.26 -60.76 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 60' ' ' ALA . 17.7 mm-40 -45.12 -45.34 11.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 66.5 m -56.77 -55.55 32.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 108.336 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.569 HG22 HG21 ' A' ' 43' ' ' VAL . 41.7 t -51.28 -46.58 33.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.606 HD12 ' O ' ' A' ' 55' ' ' ASP . 3.5 mt -64.82 -71.13 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 56' ' ' GLU . . . -40.47 -48.69 2.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 66' ' ' GLY . 8.8 tp -46.44 -65.3 0.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.148 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' ASP . 5.0 t60 -62.29 -53.83 49.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.599 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' HIS . 1.4 t0 -39.63 -52.22 2.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -62.84 -69.43 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 108.305 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 t30 171.07 41.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . 55.8 17.53 15.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.095 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.97 124.43 46.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 0.765 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.769 HG23 ' HB3' ' A' ' 42' ' ' LYS . 3.1 t -61.8 -37.37 77.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.527 ' HA ' HD12 ' A' ' 72' ' ' ILE . 1.1 m120 -68.24 -65.17 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.4 ' O ' ' SG ' ' A' ' 64' ' ' CYS . 7.4 mmt180 -44.94 -38.19 4.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -62.51 -54.42 40.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.564 ' CG2' HD12 ' A' ' 76' ' ' LEU . 7.3 mt -41.17 -47.77 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -49.04 -46.64 44.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 71' ' ' ALA . 46.9 t -77.18 -52.79 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.665 ' CD1' HD22 ' A' ' 46' ' ' LEU . 9.1 mt -47.36 -65.07 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.564 HD12 ' CG2' ' A' ' 72' ' ' ILE . 31.5 mt -43.99 -66.06 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 52.68 73.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.03 162.21 29.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 29.4 m120 62.51 138.48 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -45.85 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -175.17 83.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 83' ' ' HIS . 4.2 t -112.07 -50.05 2.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.42 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.427 ' N ' HG23 ' A' ' 82' ' ' THR . 1.1 p80 -132.73 173.27 11.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.56 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.6 t -178.17 169.88 1.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.011 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -143.47 146.84 33.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 108.037 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -71.05 127.1 31.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.624 ' O ' HG23 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -47.35 -36.02 8.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 87' ' ' MET . 45.6 t -158.59 -66.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 136.75 -110.13 0.77 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.18 -63.75 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.2 178.77 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.69 173.22 11.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.71 175.37 54.97 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.5 t -138.22 -57.1 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.576 0.809 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 69.6 p -174.68 169.71 3.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -127.41 -156.04 8.99 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.48 1.113 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -131.98 152.4 51.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 0.744 . . . . 0.0 110.255 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.19 144.92 39.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.32 152.33 4.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.011 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -161.62 96.16 0.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -179.8 5.33 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.529 1.805 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.7 t -95.86 -66.12 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.041 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 28.1 t -132.23 155.5 48.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.05 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -50.41 -52.94 33.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 0.742 . . . . 0.0 110.011 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 m -136.57 -59.8 0.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.984 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.88 -64.94 0.35 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 m 60.84 92.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 110.001 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.9 165.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.38 -143.93 7.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -91.41 149.97 21.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.751 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 65.17 134.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -162.71 170.67 18.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 73.01 -58.16 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.0 m -69.43 -61.67 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.421 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.37 169.35 11.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -106.85 -48.07 3.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.552 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -177.77 -45.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.282 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.85 103.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -134.36 156.87 78.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -77.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.526 1.803 . . . . 0.0 111.038 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.693 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER 67.6 144.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 19' ' ' GLN . . . 83.54 -51.56 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.443 HG22 ' N ' ' A' ' 22' ' ' ALA . 27.6 m -64.73 -102.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.454 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.459 ' HA ' HD12 ' A' ' 25' ' ' ILE . . . -66.69 -49.39 66.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.463 ' CB ' ' HA ' ' A' ' 19' ' ' GLN . 2.3 tp10 -39.43 -58.72 1.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.415 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -53.79 -52.34 60.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.331 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' ' 22' ' ' ALA . 96.7 mt -44.45 -53.03 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 30' ' ' MET . 2.2 mtt180 -65.33 -43.1 92.04 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.575 ' O ' HD12 ' A' ' 31' ' ' ILE . 10.8 mt -56.67 -50.96 70.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.55 -37.29 86.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -68.61 -33.37 73.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 110.323 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' ARG . 6.7 mtm -83.45 -42.99 16.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.575 HD12 ' O ' ' A' ' 27' ' ' LEU . 4.5 mt -51.56 -51.46 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.3 t -45.91 -51.66 12.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.0 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -42.66 75.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -109.64 88.51 2.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.587 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.446 ' ND2' ' CG ' ' A' ' 39' ' ' PHE . 34.1 t-20 -162.92 -69.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 169.05 177.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.09 -36.08 27.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -48.9 -60.78 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.739 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 55.6 t80 -52.4 -41.67 63.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -55.99 -56.81 16.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.69 -40.58 63.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.335 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.685 ' HB3' HG23 ' A' ' 68' ' ' VAL . 27.1 mttt -60.33 -54.57 44.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.62 ' CG2' HG22 ' A' ' 58' ' ' VAL . 42.4 t -44.57 -54.57 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -54.4 -47.34 72.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.421 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 1.0 OUTLIER -52.27 -39.23 60.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.579 HD22 ' CD1' ' A' ' 75' ' ' LEU . 12.8 mt -64.43 -45.08 89.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.425 HD11 ' HG3' ' A' ' 54' ' ' GLN . 26.8 mt -64.94 -41.38 91.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.82 -36.01 72.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.421 ' CG1' ' O ' ' A' ' 45' ' ' GLN . 47.4 mt -75.58 -69.93 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.494 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 37.1 p -80.49 -73.49 0.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.359 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.494 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 111.35 27.25 4.25 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.625 ' HG3' HD22 ' A' ' 75' ' ' LEU . 17.8 mmtt -84.22 175.48 9.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.76 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -54.06 119.31 4.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.425 ' HG3' HD11 ' A' ' 47' ' ' ILE . 42.5 tt0 -38.71 -60.58 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -44.31 -50.97 8.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 59' ' ' ILE . 7.0 mm-40 -59.24 -45.93 89.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 110.339 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 87.8 m -55.62 -52.26 64.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 108.317 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.739 HG13 ' CZ ' ' A' ' 39' ' ' PHE . 77.7 t -58.19 -34.72 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 56' ' ' GLU . 52.6 mt -66.43 -58.52 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.62 -49.13 71.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.574 HD21 ' CB ' ' A' ' 42' ' ' LYS . 5.5 tp -48.55 -61.77 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -59.96 -55.02 39.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.584 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -40.77 -52.44 2.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 0.5 OUTLIER -65.24 -69.56 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 108.333 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 2.8 m-20 155.66 69.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 65' ' ' ASN . . . 37.34 31.02 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.463 ' CB ' ' HG3' ' A' ' 70' ' ' ARG . 0.2 OUTLIER -111.64 110.75 21.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.268 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.685 HG23 ' HB3' ' A' ' 42' ' ' LYS . 3.1 t -59.38 -39.69 79.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -65.19 -61.78 1.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.463 ' HG3' ' CB ' ' A' ' 67' ' ' ASP . 13.1 mmt180 -48.74 -41.15 31.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.422 ' HB2' ' HA ' ' A' ' 61' ' ' LEU . . . -58.78 -51.06 71.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.457 HG13 ' CD2' ' A' ' 46' ' ' LEU . 10.1 mt -51.76 -37.71 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.87 -24.5 67.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.417 HG21 ' SG ' ' A' ' 64' ' ' CYS . 57.9 t -95.34 -51.1 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.625 HD22 ' HG3' ' A' ' 52' ' ' LYS . 6.9 mt -49.08 -50.46 36.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.4 mt -60.62 -64.42 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.138 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 41.32 42.62 1.85 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 110.262 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 115.7 -118.07 4.14 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.44 1.088 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -127.16 148.16 64.84 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.456 0.739 . . . . 0.0 109.307 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -58.08 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.476 1.777 . . . . 0.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -145.03 22.13 1.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 21.4 m 63.84 80.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 0.0 110.405 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 83' ' ' HIS . 1.1 p80 -65.35 107.01 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.61 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 49.9 m 39.8 78.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.956 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER 61.78 158.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 108.037 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -87.17 128.16 35.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.34 137.0 16.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.8 p -91.55 140.98 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -73.89 -179.49 39.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.8 -64.18 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 109.264 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -75.78 68.48 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.87 123.78 26.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 143.62 175.23 16.53 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.2 p -71.97 150.04 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.444 0.732 . . . . 0.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.9 t -81.06 -58.78 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.993 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 147.51 -157.97 27.56 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -179.55 154.71 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 0.725 . . . . 0.0 110.331 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 65.77 139.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.06 150.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.038 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -154.71 71.9 0.27 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -54.57 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.53 1.805 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.9 t -40.97 132.97 2.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.01 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 21.1 t -128.44 109.71 11.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 m 63.64 105.99 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 0.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -164.31 130.54 3.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.99 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.16 70.3 0.16 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.38 139.69 24.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 0.8 . . . . 0.0 110.005 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.15 87.9 7.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.22 -142.79 14.18 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.119 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -126.9 91.26 3.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 0.754 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 50.3 98.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.275 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -79.12 97.45 6.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -172.12 82.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.128 . . . . 0.0 110.295 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.2 m -96.61 111.16 23.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.388 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -96.91 126.67 42.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.347 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -132.2 90.4 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.632 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt 68.71 77.39 0.23 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -40.45 133.8 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.36 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -107.98 155.01 40.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.348 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -168.0 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.802 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.667 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 1.6 tt0 50.79 91.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.589 1.181 . . . . 0.0 110.331 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 19' ' ' GLN . . . 165.48 -33.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.417 HG22 ' N ' ' A' ' 22' ' ' ALA . 18.4 m -80.78 -97.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.132 . . . . 0.0 110.329 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.417 ' N ' HG22 ' A' ' 21' ' ' THR . . . -69.34 -35.5 75.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -52.82 -56.78 13.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -43.35 -57.42 3.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 25.2 mt -43.2 -55.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 30' ' ' MET . 0.0 OUTLIER -63.03 -41.57 99.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.289 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.476 ' C ' HD12 ' A' ' 31' ' ' ILE . 10.2 mt -53.27 -62.31 1.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.19 -27.73 23.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -77.81 -33.53 52.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.405 ' N ' ' O ' ' A' ' 26' ' ' ARG . 30.0 mtt -83.82 -39.93 19.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.476 HD12 ' C ' ' A' ' 27' ' ' LEU . 2.7 mt -55.59 -60.38 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.8 t -41.04 -58.9 1.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 109.968 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.7 -58.9 4.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -45.6 -57.72 3.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.594 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -46.95 169.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.73 -177.91 3.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.4 -44.74 80.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -42.7 -59.09 2.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.68 ' CE2' ' CG2' ' A' ' 43' ' ' VAL . 69.4 t80 -58.28 -43.54 88.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -51.23 -58.66 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.39 -30.68 41.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.592 ' HD3' HG23 ' A' ' 68' ' ' VAL . 48.6 mttt -73.47 -51.1 18.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.68 ' CG2' ' CE2' ' A' ' 39' ' ' PHE . 73.7 t -46.97 -52.89 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.246 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -56.1 -41.66 75.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.594 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -57.33 -37.23 72.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.543 HD22 HD12 ' A' ' 75' ' ' LEU . 14.0 mt -64.15 -43.17 96.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.473 HD11 ' CB ' ' A' ' 54' ' ' GLN . 12.6 mt -62.76 -59.56 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.12 -41.25 64.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.594 HD12 ' O ' ' A' ' 45' ' ' GLN . 35.0 mt -64.96 -69.67 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.486 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 32.0 p -86.3 -69.43 0.67 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.486 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 112.41 24.06 5.2 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.511 ' HB2' HD22 ' A' ' 75' ' ' LEU . 10.4 mmtt -78.6 -178.32 5.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.77 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -61.83 119.45 8.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.473 ' CB ' HD11 ' A' ' 47' ' ' ILE . 21.0 tt0 -39.67 -58.11 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -46.96 -54.69 9.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.772 ' HA ' HD12 ' A' ' 59' ' ' ILE . 7.0 mm-40 -53.06 -43.39 66.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 94.5 m -57.63 -53.26 60.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 108.296 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.485 HG13 ' CE2' ' A' ' 39' ' ' PHE . 69.5 t -50.96 -44.97 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.772 HD12 ' HA ' ' A' ' 56' ' ' GLU . 9.9 mt -56.91 -63.25 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.5 -64.17 0.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.502 HD21 ' CB ' ' A' ' 42' ' ' LYS . 15.8 tp -45.27 -60.62 2.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -49.1 -52.18 27.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.593 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -55.49 -50.44 69.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 36.4 m -62.87 -20.14 64.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 108.317 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 48.2 t30 81.84 59.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.27 39.09 95.79 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.472 ' C ' HD12 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -110.53 102.43 11.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 0.726 . . . . 0.0 109.263 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.592 HG23 ' HD3' ' A' ' 42' ' ' LYS . 3.5 t -68.44 -31.84 52.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -74.04 -66.6 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.596 ' O ' HG23 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -47.94 -37.48 14.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 67' ' ' ASP . . . -62.4 -46.46 88.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.511 HD12 ' O ' ' A' ' 68' ' ' VAL . 12.7 mt -54.85 -42.33 62.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.93 -40.26 88.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 70' ' ' ARG . 39.5 t -74.4 -56.07 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.543 HD12 HD22 ' A' ' 46' ' ' LEU . 15.3 mt -49.81 -57.98 6.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.437 HD12 HG22 ' A' ' 72' ' ' ILE . 75.0 mt -43.92 -52.04 7.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.58 -60.23 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 64.53 -105.22 1.08 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.463 1.102 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -51.93 132.33 39.14 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 109.338 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 50.51 2.56 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.486 1.782 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 170.35 39.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.402 HG22 ' H ' ' A' ' 82' ' ' THR . 0.7 OUTLIER -80.0 67.76 5.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.406 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -92.61 166.49 12.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.56 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 83.2 p -116.43 172.33 7.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -176.49 167.9 2.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 108.036 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 87' ' ' MET . 0.1 OUTLIER -102.56 153.29 20.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.45 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 6.0 ttt 78.52 115.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.958 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 89' ' ' GLY . 14.6 p -133.97 -48.4 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.443 ' N ' HG13 ' A' ' 88' ' ' VAL . . . 95.29 133.07 7.17 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 111.017 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.0 pttp -127.14 150.4 49.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.7 175.27 2.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 68.2 165.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 160.8 56.83 0.02 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.469 1.105 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 24.2 t -130.28 -63.31 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.443 0.731 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.0 t 69.18 109.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 173.35 -161.45 32.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.545 1.153 . . . . 0.0 111.03 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -145.09 -63.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt 45.64 92.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.9 m 178.94 -58.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.002 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 68.99 157.29 1.23 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 74.96 3.86 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.532 1.806 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.55 101.55 0.41 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 28.8 t -93.0 100.36 12.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.003 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 t -89.21 146.08 24.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.788 . . . . 0.0 109.981 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 m -122.61 -58.56 1.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.003 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.36 115.12 0.37 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.23 90.71 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.996 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -178.05 85.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.92 -151.21 22.73 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.533 1.145 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -164.98 122.67 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -143.05 -58.67 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -46.57 147.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -178.07 -55.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -71.51 -63.33 1.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.379 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 62.93 155.79 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.581 ' CE1' ' OG ' ' A' ' 84' ' ' SER . 2.8 t-160 67.99 99.58 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.583 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.0 140.94 42.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -46.53 98.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.334 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.41 146.8 18.69 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.89 136.81 21.15 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 111.038 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.3 tm0? -169.8 143.95 2.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 54.0 -175.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.9 m 61.83 -83.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 0.0 110.408 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.25 -52.91 7.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -45.94 -54.16 8.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -42.85 -59.66 1.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 57.8 mt -45.24 -47.24 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.8 -34.55 75.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 30' ' ' MET . 17.7 mt -63.77 -64.27 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.41 -32.01 10.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -68.32 -33.71 74.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 27' ' ' LEU . 19.7 mtt -83.84 -40.78 18.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.3 mt -59.71 -56.49 16.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.32 -51.55 8.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.974 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.62 -52.38 8.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -95.5 62.68 2.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.601 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -102.56 166.6 10.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.485 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 1.1 m-20 -140.88 164.93 28.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.75 -44.46 66.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -51.44 -66.58 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.52 ' O ' HG23 ' A' ' 43' ' ' VAL . 68.7 t80 -55.72 -39.22 70.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' A' ' 36' ' ' ASP . 8.7 mm-40 -55.02 -57.91 9.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.19 -29.41 45.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.807 ' HD3' HG23 ' A' ' 68' ' ' VAL . 17.0 mttm -73.35 -52.29 14.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 39' ' ' PHE . 75.7 t -44.31 -48.48 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -60.48 -50.67 72.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.48 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -49.88 -39.11 38.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.264 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.615 HD11 HD13 ' A' ' 61' ' ' LEU . 19.9 mt -61.55 -42.09 98.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 109.241 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' GLY . 14.3 mt -64.49 -59.99 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.94 -38.98 65.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.48 ' CG1' ' O ' ' A' ' 45' ' ' GLN . 46.8 mt -67.08 -69.56 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.47 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 31.6 p -84.44 -69.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.374 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.47 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 112.2 23.26 5.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 111.045 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.748 ' HB2' HD22 ' A' ' 75' ' ' LEU . 11.8 mmtt -79.46 179.89 7.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -61.92 120.99 11.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.425 ' CB ' HD11 ' A' ' 47' ' ' ILE . 14.4 tt0 -38.91 -60.19 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.35 -58.05 2.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.414 ' HA ' HD12 ' A' ' 59' ' ' ILE . 5.1 mm-40 -48.47 -45.29 36.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 85.0 m -56.7 -52.55 64.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 108.325 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 79.9 t -52.49 -42.89 40.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 56' ' ' GLU . 7.7 mt -63.45 -55.34 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.88 -66.85 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.615 HD13 HD11 ' A' ' 46' ' ' LEU . 15.6 tp -44.25 -59.38 2.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -49.55 -48.36 48.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.607 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -60.29 -48.71 80.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 39.2 m -69.91 -9.05 53.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 108.262 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 61' ' ' LEU . 1.9 m-20 66.99 76.55 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 48.51 47.83 28.77 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.419 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 0.4 OUTLIER -119.47 93.66 4.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.743 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.807 HG23 ' HD3' ' A' ' 42' ' ' LYS . 3.0 t -63.42 -37.47 79.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -66.95 -66.45 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.539 ' O ' HG23 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -50.24 -41.25 49.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 67' ' ' ASP . . . -59.65 -46.92 87.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.468 HG13 ' CD2' ' A' ' 46' ' ' LEU . 13.4 mt -52.92 -41.63 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.27 -38.91 91.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 70' ' ' ARG . 39.6 t -74.27 -56.69 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.748 HD22 ' HB2' ' A' ' 52' ' ' LYS . 10.6 mt -49.9 -54.54 18.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.9 mt -40.49 -63.68 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.76 33.57 1.03 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 42.23 -103.58 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -121.54 145.8 43.67 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.348 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -39.97 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.486 1.782 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -172.3 81.73 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.2 t -53.26 -46.38 69.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.352 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -41.83 134.58 2.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.621 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.581 ' OG ' ' CE1' ' A' ' 14' ' ' HIS . 16.4 m -45.4 163.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.008 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.31 161.67 15.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 108.035 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.68 82.19 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 3.8 ttt -140.98 106.44 5.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 69.5 t -102.0 94.84 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.24 -179.32 34.9 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.45 125.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 0.768 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.38 -65.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.35 113.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -88.14 -140.94 7.23 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.557 1.161 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 6.3 p -152.58 123.46 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.767 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 59.9 p -126.54 148.53 49.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.026 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -63.97 116.54 9.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.471 1.107 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.12 101.79 1.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 110.341 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -113.45 120.69 41.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.76 155.77 39.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.995 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 177.46 96.09 0.1 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 89.46 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.509 1.794 . . . . 0.0 111.048 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.08 162.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.977 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.3 m -163.79 100.08 0.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 O-C-N 124.515 1.135 . . . . 0.0 110.989 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.57 163.71 19.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 109.967 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.6 p -142.61 151.76 41.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.06 98.95 1.64 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 m -149.65 151.65 34.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 110.028 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 p -174.97 134.44 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.957 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.79 160.36 20.27 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.45 108.57 11.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -176.79 85.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -48.13 99.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.98 166.95 21.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.8 m -51.02 101.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.414 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -101.41 120.13 39.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -61.33 113.33 2.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.616 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -110.94 157.35 19.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -137.78 -60.33 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 17' ' ' ARG . 17.4 ttm105 -61.34 136.73 94.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 110.337 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 155.75 43.07 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.476 1.777 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -139.82 -64.77 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.25 50.39 1.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.65 HG22 ' N ' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -133.07 -78.72 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.41 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.65 ' N ' HG22 ' A' ' 21' ' ' THR . . . -86.18 -38.35 17.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -49.23 -52.8 24.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -45.93 -53.34 10.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.1 mt -50.33 -43.44 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.21 -23.27 59.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.761 ' O ' HD12 ' A' ' 31' ' ' ILE . 12.2 mt -78.05 -42.36 32.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.6 -43.44 84.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -68.22 -16.89 64.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.6 mtt -94.11 -44.63 7.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.761 HD12 ' O ' ' A' ' 27' ' ' LEU . 5.0 mt -62.58 -54.69 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 t -48.86 -46.94 43.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.38 -54.13 4.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -66.94 -68.84 0.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.607 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.67 102.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.15 154.65 24.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.8 -59.85 3.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -42.16 -61.45 1.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.703 ' CE1' ' CG2' ' A' ' 43' ' ' VAL . 53.7 t80 -56.2 -46.08 79.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -50.05 -58.33 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.55 -34.9 59.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.709 ' HB3' HD21 ' A' ' 61' ' ' LEU . 30.6 mttt -69.66 -49.05 57.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 0.0 109.331 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.703 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 93.7 t -46.71 -51.11 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.8 mtpp -58.26 -51.52 69.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.456 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 0.4 OUTLIER -48.33 -37.23 16.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.616 HD22 HD12 ' A' ' 75' ' ' LEU . 18.4 mt -66.14 -46.19 78.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.43 HD11 ' CB ' ' A' ' 54' ' ' GLN . 26.2 mt -64.8 -40.68 89.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.53 -37.13 74.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.576 HD13 HD11 ' A' ' 72' ' ' ILE . 41.1 mt -74.76 -69.9 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.497 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 41.7 p -79.88 -74.94 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.394 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.497 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 112.9 26.58 4.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.651 ' HB2' HD22 ' A' ' 75' ' ' LEU . 11.0 mmtt -82.02 179.4 7.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 0.774 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -58.55 119.44 7.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.445 ' O ' HG23 ' A' ' 58' ' ' VAL . 31.0 tt0 -38.83 -57.03 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.671 ' O ' HD12 ' A' ' 59' ' ' ILE . 60.5 m-20 -45.43 -62.45 1.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -49.02 -42.51 38.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.333 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.485 ' HA ' HD11 ' A' ' 75' ' ' LEU . 85.3 m -59.43 -44.94 92.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.088 . . . . 0.0 108.303 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.507 HG13 ' CE1' ' A' ' 39' ' ' PHE . 98.3 t -60.17 -53.16 52.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.671 HD12 ' O ' ' A' ' 55' ' ' ASP . 2.7 mp -55.56 -55.8 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.82 -66.39 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.709 HD21 ' HB3' ' A' ' 42' ' ' LYS . 13.1 tp -41.34 -57.78 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -53.04 -49.4 66.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.593 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -57.46 -50.7 72.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.351 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 73.5 m -65.15 -16.31 63.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 108.354 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 11.3 t-20 81.49 74.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 44.57 41.22 6.78 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.495 ' O ' ' HB2' ' A' ' 71' ' ' ALA . 1.3 t70 -115.7 108.67 16.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.541 HG22 ' HG ' ' A' ' 46' ' ' LEU . 2.7 t -74.51 -38.61 46.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -63.93 -66.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -49.98 -34.51 21.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 110.342 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 67' ' ' ASP . . . -64.98 -58.23 6.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.576 HD11 HD13 ' A' ' 49' ' ' ILE . 11.6 mt -40.27 -38.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -63.86 -51.76 63.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 71' ' ' ALA . 39.7 t -66.93 -56.36 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.651 HD22 ' HB2' ' A' ' 52' ' ' LYS . 8.6 mt -46.18 -58.29 3.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.431 HD12 HG22 ' A' ' 72' ' ' ILE . 48.3 mt -47.34 -61.66 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -120.99 -80.25 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 172.67 -149.06 11.07 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -94.39 123.43 58.6 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 109.346 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 66.35 6.05 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 44.92 85.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 m -111.9 -62.93 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.379 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -47.75 138.62 8.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 109.601 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.8 p -89.75 118.99 29.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.003 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 19.5 m95 -154.08 160.07 41.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 108.014 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 61.72 167.07 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -146.86 -168.11 2.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.402 ' O ' HG13 ' A' ' 88' ' ' VAL . 7.8 p -59.23 120.6 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.142 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 171.62 71.06 0.04 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.49 174.98 5.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 65.21 80.89 0.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -168.6 69.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -149.48 -115.94 0.79 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.8 t -79.76 100.34 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 t -168.85 -58.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.941 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 162.38 57.52 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -179.82 122.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -41.37 141.51 0.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.1 p -71.23 113.86 8.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.999 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 86.85 157.27 30.39 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.467 1.105 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 141.07 26.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.18 160.44 14.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.94 -62.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -161.57 -58.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 109.954 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.41 81.46 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.978 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.81 -160.5 8.54 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 m 61.48 101.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 0.796 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.4 t -92.22 101.47 13.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.988 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.82 149.79 11.95 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -114.79 -55.78 2.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 0.795 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.34 137.53 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -84.38 144.18 28.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.16 156.35 17.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.9 p -72.61 175.41 6.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 110.425 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -65.93 -61.01 2.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 68.43 133.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.614 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.12 -53.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.44 -71.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 56.73 108.42 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -16.53 20.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.511 1.796 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -95.31 51.93 1.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.245 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.22 -48.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 22' ' ' ALA . 62.6 p -60.18 -163.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 110.439 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 21' ' ' THR . . . -40.55 -32.53 0.21 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -50.57 -52.81 35.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.35 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.538 ' OE1' HD11 ' A' ' 59' ' ' ILE . 0.7 OUTLIER -49.63 -61.76 1.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.118 . . . . 0.0 110.321 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 10.3 mt -51.31 -45.8 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -21.81 66.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.754 ' O ' HD12 ' A' ' 31' ' ' ILE . 11.1 mt -82.92 -37.51 24.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.47 -42.17 68.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -65.87 -20.8 66.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.18 -46.62 7.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.754 HD12 ' O ' ' A' ' 27' ' ' LEU . 7.9 mt -59.0 -59.41 3.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.8 p -42.2 -59.92 1.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.991 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -55.78 -58.75 6.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -78.32 89.42 4.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.573 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 1.7 t-20 -174.5 -66.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 35' ' ' ASN . 1.1 m-20 158.29 171.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.36 -34.07 63.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -49.2 -66.99 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 61' ' ' LEU . 39.5 t80 -50.49 -42.43 54.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -51.73 -58.67 5.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.6 -35.46 54.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.518 ' HD3' HG23 ' A' ' 68' ' ' VAL . 25.0 mttt -66.53 -52.44 45.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.567 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 76.6 t -44.37 -51.27 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -58.22 -44.69 88.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.598 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -56.37 -38.88 72.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.648 HD21 ' HB3' ' A' ' 71' ' ' ALA . 37.5 mt -61.64 -45.48 93.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.471 HD11 ' CB ' ' A' ' 54' ' ' GLN . 13.4 mt -62.02 -57.7 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.1 -43.59 63.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.598 HD12 ' O ' ' A' ' 45' ' ' GLN . 23.1 mt -67.46 -69.89 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.49 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 31.1 p -82.81 -69.85 0.6 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.145 . . . . 0.0 110.454 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.49 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 109.2 19.54 8.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -75.44 164.53 26.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -43.76 119.2 1.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.471 ' CB ' HD11 ' A' ' 47' ' ' ILE . 15.4 tt0 -38.98 -54.54 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.664 ' O ' HD12 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -47.48 -57.18 5.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -49.84 -50.8 44.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.247 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 71.2 m -49.73 -49.27 48.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 108.318 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.6 t -57.1 -55.3 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.664 HD12 ' O ' ' A' ' 55' ' ' ASP . 3.0 mt -54.29 -48.56 67.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.7 -60.69 3.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . 12.1 tp -46.11 -60.99 1.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -53.74 -56.26 18.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.652 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -41.52 -53.32 3.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.41 -68.5 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 108.315 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 t30 168.79 -35.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.34 44.8 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.558 1.161 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.43 108.33 9.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 0.788 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.518 HG23 ' HD3' ' A' ' 42' ' ' LYS . 22.3 t -47.53 -44.14 9.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -58.95 -59.64 5.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -53.4 -48.27 68.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.276 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.648 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -54.89 -49.27 71.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.598 HD11 HD13 ' A' ' 49' ' ' ILE . 9.3 mt -51.25 -48.69 32.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.76 -37.58 42.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.0 t -80.43 -53.79 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.524 HD12 HD22 ' A' ' 46' ' ' LEU . 7.7 mt -49.18 -58.22 5.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.475 HD12 HG22 ' A' ' 72' ' ' ILE . 53.9 mt -46.1 -62.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 42.33 81.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -81.04 51.53 4.36 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.8 m-80 -113.7 136.09 22.0 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.439 0.729 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 63.98 6.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.5 1.79 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.7 t70 43.34 79.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.3 p -121.68 179.79 4.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.417 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -47.91 160.37 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.619 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -150.14 179.07 8.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -121.54 148.77 44.05 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -173.41 150.96 1.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -166.41 119.56 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 42.6 t -147.04 146.14 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -59.13 -152.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -138.99 113.16 8.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.333 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.7 mmtm -115.82 146.41 42.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -93.6 125.1 38.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -140.53 -104.72 0.58 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.7 t 60.72 113.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.555 0.797 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 60.1 p -165.37 167.41 17.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.964 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -168.44 117.55 0.73 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -86.33 -62.3 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 110.28 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.6 99.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.7 t -175.44 155.92 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.028 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 164.17 163.3 16.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 169.72 22.01 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.504 1.792 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.04 158.63 16.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.023 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.0 m -126.15 116.05 20.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.512 1.133 . . . . 0.0 110.981 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.73 80.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 0.746 . . . . 0.0 110.045 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.4 162.91 40.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.026 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.13 -168.7 12.81 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 m 66.62 107.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -169.67 171.41 7.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.95 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.45 171.42 29.59 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.439 ' HB2' ' CG2' ' A' ' 82' ' ' THR . 35.9 m120 61.35 160.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.402 ' O ' ' CG ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -178.27 66.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -145.4 90.87 2.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -176.9 157.61 1.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 61.8 p -117.38 108.09 15.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.375 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -58.38 130.71 48.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -147.17 106.35 3.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.62 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -159.97 -68.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -134.71 110.32 9.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 60.71 109.49 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 158.02 42.52 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.518 1.799 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.503 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 3.0 pt20 -162.03 67.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 19' ' ' GLN . . . 174.92 -38.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 23.4 m -73.24 -91.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.378 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.02 -53.38 10.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.96 -56.62 1.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -43.09 -61.15 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.4 mt -42.23 -49.47 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -39.09 86.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.483 ' C ' HD12 ' A' ' 31' ' ' ILE . 12.3 mt -58.54 -62.6 1.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.18 -24.01 38.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -78.4 -34.01 48.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -83.57 -40.29 19.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.857 HG21 ' CG1' ' A' ' 58' ' ' VAL . 3.3 mt -57.91 -43.37 84.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.257 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.2 t -49.71 -58.31 5.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.985 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -42.84 -48.57 5.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -106.53 57.67 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.589 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -54.96 -46.55 75.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.4 t0 60.19 153.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.95 -48.29 9.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -49.36 -55.48 12.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.346 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.668 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 47.5 t80 -60.7 -44.18 96.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -52.88 -57.62 9.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -36.72 44.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.638 ' HB3' HG23 ' A' ' 68' ' ' VAL . 35.7 mttp -66.75 -55.77 13.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.519 HG21 HG22 ' A' ' 58' ' ' VAL . 36.0 t -41.28 -52.7 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -56.66 -45.79 81.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.794 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -55.79 -37.14 68.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.685 HD21 ' HB3' ' A' ' 71' ' ' ALA . 48.4 mt -63.91 -45.33 89.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.481 HD11 ' CB ' ' A' ' 54' ' ' GLN . 14.3 mt -61.76 -57.6 11.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.24 -45.12 61.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.858 HD13 HD11 ' A' ' 72' ' ' ILE . 14.0 mt -67.02 -70.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.494 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 30.9 p -82.73 -70.07 0.58 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.494 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 110.13 17.61 9.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -72.81 161.61 30.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.783 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -42.66 119.72 1.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.481 ' CB ' HD11 ' A' ' 47' ' ' ILE . 30.8 tt0 -39.25 -53.42 1.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.255 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -50.18 -50.64 48.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.512 ' HA ' HD12 ' A' ' 59' ' ' ILE . 4.1 mm-40 -55.32 -47.6 75.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 62.6 m -53.0 -49.47 66.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 108.273 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.857 ' CG1' HG21 ' A' ' 31' ' ' ILE . 69.4 t -55.74 -49.4 74.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 56' ' ' GLU . 7.9 mt -59.8 -51.68 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.18 -62.25 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.46 HD21 ' CB ' ' A' ' 42' ' ' LYS . 11.4 tp -43.38 -56.74 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -57.08 -51.84 67.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.58 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -40.13 -42.1 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.414 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -79.56 -61.35 2.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 108.28 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.414 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 0.7 OUTLIER 162.29 -48.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 157.5 43.48 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.25 98.47 5.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.638 HG23 ' HB3' ' A' ' 42' ' ' LYS . 3.6 t -44.24 -46.29 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -57.3 -60.67 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.437 ' O ' HG23 ' A' ' 74' ' ' VAL . 23.9 mmt85 -53.53 -48.97 68.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.685 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -52.39 -49.9 63.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.858 HD11 HD13 ' A' ' 49' ' ' ILE . 8.8 mt -48.93 -50.62 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -53.32 -35.15 59.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 70' ' ' ARG . 41.9 t -78.11 -55.79 9.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.613 HD12 HD22 ' A' ' 46' ' ' LEU . 6.4 mt -47.74 -58.97 3.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 76.5 mt -44.64 -64.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -46.67 -67.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.267 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 88.13 -75.93 2.0 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -123.16 147.5 52.03 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.433 0.725 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -40.64 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.438 1.757 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -163.86 72.55 0.26 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 82' ' ' THR . 10.2 t -78.7 106.35 10.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.353 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -80.41 61.38 4.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.604 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.41 154.28 35.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -125.83 137.27 53.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 108.008 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -130.0 173.4 10.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.12 128.29 4.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 111.051 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 65.8 t -137.32 149.6 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 169.52 -124.57 1.17 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 62.11 155.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.02 133.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -134.42 166.12 23.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -68.01 -143.51 0.1 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.8 p -135.5 163.69 34.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 0.763 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.7 m -90.37 171.33 9.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -172.18 136.35 3.77 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.141 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -152.38 169.69 21.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 0.756 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.08 174.82 9.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 54.5 p -111.18 125.82 54.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.009 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 65.34 157.23 0.31 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 170.32 20.67 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.771 . . . . 0.0 111.038 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.71 -61.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.975 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.35 -56.25 4.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.035 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t 63.68 157.48 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 0.753 . . . . 0.0 110.016 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -127.7 99.26 5.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.045 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.41 -117.46 1.44 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.5 p 49.31 94.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 0.76 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -155.58 -71.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.04 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.28 -169.44 22.22 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -124.82 115.89 21.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -147.63 -50.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.333 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 58.74 -156.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 74.97 145.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.35 153.86 42.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.39 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.4 tm0? -107.26 -75.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -176.74 150.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.562 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.36 125.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -78.89 65.43 4.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.529 ' CZ ' ' ND2' ' A' ' 79' ' ' ASN . 4.8 ttt85 63.03 139.76 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 17' ' ' ARG . 18.3 Cg_endo -74.98 165.01 32.23 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.435 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 1.3 tt0 81.43 -54.7 0.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.44 58.67 1.02 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.3 p -143.58 -141.91 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.42 -29.21 33.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -67.57 -47.23 70.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.429 ' HG3' HG21 ' A' ' 59' ' ' ILE . 1.1 tt0 -60.27 -49.31 78.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 110.262 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.6 mt -51.35 -37.45 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.54 -42.4 22.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.517 ' O ' HD12 ' A' ' 31' ' ' ILE . 23.6 mt -60.96 -53.93 51.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.43 -28.25 63.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -78.68 -33.16 47.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.5 mtm -81.54 -41.45 21.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.517 HD12 ' O ' ' A' ' 27' ' ' LEU . 2.6 mt -60.43 -49.89 82.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.8 m -50.08 -60.47 2.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.968 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -44.71 -48.25 10.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -97.05 60.06 1.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.567 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -87.63 141.17 28.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.17 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -123.78 159.5 29.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.55 -57.73 11.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -42.21 -65.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.692 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 56.1 t80 -53.4 -42.91 67.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -54.24 -57.5 10.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -50.46 -38.65 44.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.289 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.636 ' HB3' HG23 ' A' ' 68' ' ' VAL . 29.2 mttm -62.1 -58.32 8.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.622 ' CG2' HG22 ' A' ' 58' ' ' VAL . 54.9 t -40.44 -55.82 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -53.61 -47.81 69.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.699 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -52.01 -40.57 61.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.352 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.725 HD22 ' CD1' ' A' ' 75' ' ' LEU . 21.1 mt -64.57 -52.41 57.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.433 HD11 ' CB ' ' A' ' 54' ' ' GLN . 17.3 mt -58.4 -35.76 55.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.53 -48.19 56.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.699 HD12 ' O ' ' A' ' 45' ' ' GLN . 7.4 mt -68.83 -70.34 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 43.8 p -74.38 -80.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.521 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 114.8 29.39 2.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt -86.64 175.98 8.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -56.08 119.65 6.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.433 ' CB ' HD11 ' A' ' 47' ' ' ILE . 34.2 tt0 -38.97 -55.2 1.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.473 ' O ' HD12 ' A' ' 59' ' ' ILE . 1.6 m-20 -45.77 -50.87 13.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.35 -52.97 61.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 56.3 m -51.63 -49.83 61.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 108.283 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.692 HG13 ' CZ ' ' A' ' 39' ' ' PHE . 73.3 t -59.57 -46.83 92.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.473 HD12 ' O ' ' A' ' 55' ' ' ASP . 15.9 mt -59.2 -57.29 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.68 -52.72 59.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.486 HD23 ' CE1' ' A' ' 39' ' ' PHE . 17.6 tp -41.61 -56.94 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -67.88 -52.67 33.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.645 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -41.33 -51.92 3.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -64.3 -71.16 0.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.53 1.144 . . . . 0.0 108.277 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 67' ' ' ASP . 23.6 t30 168.73 60.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 37.73 30.55 0.07 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.426 1.079 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' ASN . 0.1 OUTLIER -114.5 125.14 53.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 0.747 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.636 HG23 ' HB3' ' A' ' 42' ' ' LYS . 4.5 t -63.84 -44.13 98.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -62.17 -63.27 1.3 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -46.55 -38.58 9.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.513 ' HB3' HD21 ' A' ' 46' ' ' LEU . . . -63.12 -58.59 6.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.557 HD11 HD13 ' A' ' 49' ' ' ILE . 7.5 mt -39.81 -43.64 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.82 -51.99 52.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 71' ' ' ALA . 60.1 t -74.39 -52.72 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.725 ' CD1' HD22 ' A' ' 46' ' ' LEU . 5.1 mt -42.49 -55.22 3.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 36.3 mt -46.33 -64.09 0.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -118.13 -95.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 165.72 -118.31 0.8 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.094 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.529 ' ND2' ' CZ ' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -138.41 131.56 16.31 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.477 0.751 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.506 ' O ' ' CB ' ' A' ' 81' ' ' ASP . 18.3 Cg_endo -74.98 63.03 5.95 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 80' ' ' PRO . 0.3 OUTLIER 82.09 -52.94 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.1 t 39.02 41.58 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 110.377 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -132.83 174.48 10.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 109.641 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.1 t -120.6 -151.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -116.56 147.77 41.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 107.987 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -96.58 -96.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.8 72.19 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 1.8 p -111.81 150.86 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -71.11 69.9 0.81 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -46.85 141.12 4.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 0.776 . . . . 0.0 109.347 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -142.25 66.79 1.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.12 172.11 14.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -146.74 -106.51 0.47 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.13 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.0 t -142.69 102.29 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 0.738 . . . . 0.0 109.286 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 m -157.77 145.3 18.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -142.96 -153.95 6.01 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.501 1.125 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -140.76 120.96 13.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 0.737 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.42 109.91 16.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.4 p -146.59 163.48 35.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 112.86 94.96 2.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.146 . . . . 0.0 111.04 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 58.61 4.95 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.484 1.781 . . . . 0.0 110.997 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.6 t 50.19 84.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.977 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.0 m -80.66 133.8 35.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.974 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 179.963 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.1 p -95.86 106.87 19.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 110.021 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -58.76 -58.38 8.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.026 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.65 138.82 10.71 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.5 156.44 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 0.765 . . . . 0.0 109.992 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.53 155.16 44.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.0 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.58 125.95 0.15 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.452 1.095 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -156.01 166.82 32.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -112.66 96.92 6.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 57.45 162.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -49.14 -58.61 4.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.8 m -120.61 -61.1 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.414 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -154.07 -59.58 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.265 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -101.98 167.6 9.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 0.0 109.589 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -94.36 124.28 38.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.248 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -66.51 -56.84 8.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -43.09 111.05 0.98 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.347 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 176.48 9.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.573 ' HG2' HD11 ' A' ' 27' ' ' LEU . 1.9 mt-30 58.05 108.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 110.236 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 19' ' ' GLN . . . 178.75 -165.8 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 24' ' ' GLN . 65.5 p 41.57 -136.88 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.36 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.19 -39.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.422 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -58.87 -49.86 76.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 21' ' ' THR . 0.9 OUTLIER -55.74 -57.54 11.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.1 mt -44.85 -45.09 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 30' ' ' MET . 0.7 OUTLIER -72.24 -43.81 63.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.573 HD11 ' HG2' ' A' ' 19' ' ' GLN . 13.8 mt -52.11 -58.75 5.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.55 -31.31 56.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -75.89 -32.77 59.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 26' ' ' ARG . 3.6 ttp -82.04 -40.11 22.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.513 HD12 ' O ' ' A' ' 27' ' ' LEU . 2.6 mt -61.2 -59.89 3.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 55.3 p -40.26 -56.09 2.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.019 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.91 -48.12 8.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -104.66 78.58 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.594 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -113.99 168.55 9.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -131.9 160.52 35.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.47 -50.1 74.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -47.71 -65.69 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.636 ' CE1' HD23 ' A' ' 61' ' ' LEU . 24.4 t80 -55.65 -42.69 75.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -56.21 -56.55 19.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.26 -29.48 58.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.448 ' HB3' ' CG2' ' A' ' 68' ' ' VAL . 72.2 mttt -76.98 -59.24 2.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.915 HG11 HG22 ' A' ' 58' ' ' VAL . 71.9 t -44.81 -41.12 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.944 ' HA ' HD12 ' A' ' 47' ' ' ILE . 20.2 tttt -70.17 -38.96 75.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.698 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -60.19 -32.15 70.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 110.336 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.576 HD22 ' CD1' ' A' ' 75' ' ' LEU . 10.4 mt -66.4 -34.13 77.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.944 HD12 ' HA ' ' A' ' 44' ' ' LYS . 22.0 mt -64.11 -59.79 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.32 -34.86 66.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.698 HD12 ' O ' ' A' ' 45' ' ' GLN . 26.1 mt -71.7 -69.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 51' ' ' GLY . 29.3 p -78.64 -70.08 0.52 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.504 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 113.69 18.32 7.04 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -84.01 -178.8 7.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.338 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -66.02 114.69 5.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.763 ' CG ' HD11 ' A' ' 47' ' ' ILE . 36.0 tt0 -38.36 -58.83 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.49 -50.57 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.685 ' HA ' HD12 ' A' ' 59' ' ' ILE . 4.6 mm-40 -60.2 -41.87 93.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 54' ' ' GLN . 93.8 m -57.51 -39.0 75.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 108.288 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.915 HG22 HG11 ' A' ' 43' ' ' VAL . 65.7 t -63.04 -32.82 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 56' ' ' GLU . 20.4 mt -75.78 -58.15 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.07 -50.68 63.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.636 HD23 ' CE1' ' A' ' 39' ' ' PHE . 11.3 tp -53.87 -66.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -49.86 -61.26 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.6 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -41.3 -53.15 3.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 0.8 OUTLIER -55.0 -69.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 108.265 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 7.1 m-20 156.7 45.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.13 16.04 52.14 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.496 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -96.19 121.99 38.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 0.743 . . . . 0.0 109.337 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.448 ' CG2' ' HB3' ' A' ' 42' ' ' LYS . 2.9 t -68.23 -37.43 78.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.445 ' HA ' HD12 ' A' ' 72' ' ' ILE . 2.3 m-80 -67.45 -62.57 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -47.44 -36.36 9.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -60.89 -53.72 53.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.451 HG22 HD12 ' A' ' 76' ' ' LEU . 5.2 mt -44.65 -46.64 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.59 -39.69 58.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' ALA . 48.3 t -81.5 -52.57 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.576 ' CD1' HD22 ' A' ' 46' ' ' LEU . 14.6 mt -48.91 -53.93 17.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.451 HD12 HG22 ' A' ' 72' ' ' ILE . 59.7 mt -56.42 -63.69 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 76' ' ' LEU . 5.9 pt-20 37.45 42.53 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -166.56 77.11 0.13 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.447 1.092 . . . . 0.0 111.029 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -142.22 144.9 33.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 109.327 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -36.59 2.52 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.547 1.814 . . . . 0.0 111.041 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -154.14 -54.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.2 m 60.15 149.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 110.417 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.21 167.66 15.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.621 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.9 t -108.88 129.1 55.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 6.9 m95 65.34 138.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 107.997 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -167.08 114.32 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.92 120.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.4 p -116.65 155.38 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -116.84 168.76 12.86 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.7 pttm -167.83 128.98 1.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.11 -63.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.19 140.6 47.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -62.0 165.54 20.47 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.461 1.1 . . . . 0.0 111.045 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.8 p -163.07 154.18 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.8 p -142.47 130.55 21.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.98 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -116.03 176.75 16.64 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -161.73 83.95 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.64 136.73 3.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.7 m -133.14 163.34 29.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 110.017 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -139.51 87.77 0.2 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.565 1.165 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 175.47 11.19 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.67 174.97 11.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.99 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.3 p -153.27 150.17 28.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.044 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.463 1.102 . . . . 0.0 110.976 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.61 97.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 110.017 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.8 p -159.98 139.12 10.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.994 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.78 -140.74 6.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 p -172.38 134.54 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.753 . . . . 0.0 110.003 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t 55.24 92.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 110.004 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.4 88.68 1.7 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 t30 178.76 115.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 0.741 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -128.71 128.27 43.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -97.46 150.07 21.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 52.01 101.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.7 t -93.15 38.98 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.423 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -118.72 165.01 14.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.356 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 75.46 -66.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.631 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.07 -65.41 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.33 164.03 31.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -73.93 146.82 85.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 179.45 6.07 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.71 168.27 11.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 64.08 176.65 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.7 m 65.27 -79.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.391 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.83 -56.7 4.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.46 -56.04 17.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.427 1.079 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -41.16 -58.25 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.3 mt -44.4 -53.65 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -64.67 -32.06 73.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.107 . . . . 0.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.8 mt -68.43 -67.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.33 -22.52 4.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -75.37 -35.4 61.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 44.2 mtm -91.3 -41.25 11.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.446 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 23.6 mt -54.32 -37.0 35.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.3 t -57.29 -65.48 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.989 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -46.02 -38.16 7.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -68.4 -173.55 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.577 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 31' ' ' ILE . 20.7 m-80 64.15 -173.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -128.65 -166.96 1.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.3 -49.14 72.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.14 -59.6 1.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.448 ' CE2' HG13 ' A' ' 58' ' ' VAL . 84.2 t80 -56.63 -40.55 75.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -58.8 -55.48 34.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.35 -32.98 70.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.35 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.496 ' HB3' HG23 ' A' ' 68' ' ' VAL . 86.6 mttt -69.72 -52.08 28.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.511 ' CG1' HG22 ' A' ' 58' ' ' VAL . 2.9 t -45.41 -52.96 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.82 ' HA ' HD12 ' A' ' 47' ' ' ILE . 6.6 tttt -62.16 -45.53 92.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.688 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -52.9 -34.52 55.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.266 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.657 HD11 HD13 ' A' ' 61' ' ' LEU . 9.9 mt -64.94 -33.97 77.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.82 HD12 ' HA ' ' A' ' 44' ' ' LYS . 30.7 mt -64.04 -59.66 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.27 -33.3 67.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.688 HD12 ' O ' ' A' ' 45' ' ' GLN . 24.9 mt -72.57 -70.03 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.605 HG21 HD13 ' A' ' 75' ' ' LEU . 30.1 p -73.79 -70.11 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.371 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.502 ' N ' ' OG1' ' A' ' 50' ' ' THR . . . 116.44 14.71 7.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.811 ' HG3' HD22 ' A' ' 75' ' ' LEU . 5.1 mmtt -79.84 -151.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -99.92 126.0 46.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.528 ' O ' HG23 ' A' ' 58' ' ' VAL . 48.2 tt0 -37.99 -63.94 0.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.482 ' O ' HD12 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -40.29 -60.87 0.99 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -52.24 -43.5 64.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 92.0 m -58.69 -41.9 87.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 108.33 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 54' ' ' GLN . 59.0 t -60.4 -51.31 74.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.482 HD12 ' O ' ' A' ' 55' ' ' ASP . 3.2 mt -56.47 -58.89 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.17 -58.32 6.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.657 HD13 HD11 ' A' ' 46' ' ' LEU . 8.6 tp -41.04 -56.99 2.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.09 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 63' ' ' ASP . 3.6 t60 -62.48 -56.35 18.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.617 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 62' ' ' HIS . 0.3 OUTLIER -39.99 -54.42 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 70' ' ' ARG . 0.2 OUTLIER -57.8 -70.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 108.309 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 167.85 41.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 61' ' ' LEU . . . 60.22 13.87 30.42 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 110.961 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.501 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -97.34 130.99 44.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.744 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.501 HG22 ' HG ' ' A' ' 46' ' ' LEU . 3.3 t -69.32 -44.6 80.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -59.55 -59.66 5.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.404 ' O ' ' SG ' ' A' ' 64' ' ' CYS . 32.0 mmt180 -51.87 -35.86 46.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -63.54 -55.26 25.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.494 HD11 HG21 ' A' ' 49' ' ' ILE . 5.3 mt -47.76 -30.49 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.01 -39.58 90.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 71' ' ' ALA . 57.6 t -85.59 -50.9 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.811 HD22 ' HG3' ' A' ' 52' ' ' LYS . 7.2 mt -47.09 -61.21 1.99 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.433 HD12 HG22 ' A' ' 72' ' ' ILE . 51.2 mt -40.63 -59.05 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -109.08 61.44 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -119.19 161.07 14.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.125 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.505 ' HB3' HG23 ' A' ' 82' ' ' THR . 85.1 m-20 62.57 133.27 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.752 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 55.74 4.03 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.506 1.792 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 47.13 82.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.505 HG23 ' HB3' ' A' ' 79' ' ' ASN . 38.9 p -84.44 165.4 18.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.397 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.494 ' CG ' ' O ' ' A' ' 82' ' ' THR . 17.2 p80 47.98 64.88 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.602 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.88 171.92 7.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 110.032 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -171.26 88.39 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 108.017 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.06 128.69 13.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.435 ' C ' HG12 ' A' ' 88' ' ' VAL . 0.0 OUTLIER 42.33 87.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.966 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 88' ' ' VAL . 7.7 p 41.94 58.47 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -76.09 -96.78 0.15 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.24 168.66 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 0.803 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.08 -65.3 1.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.4 tptt 74.41 -65.61 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 161.26 122.2 0.61 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.42 1.075 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.8 p -75.29 157.57 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.3 t -149.72 157.22 43.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -156.25 -156.7 7.95 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.53 1.144 . . . . 0.0 111.035 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -124.78 137.36 54.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.757 . . . . 0.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.34 152.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.97 154.63 36.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.982 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -63.26 157.29 40.52 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 165.46 31.26 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.542 1.811 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.41 79.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.0 t -171.92 158.54 4.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.118 . . . . 0.0 111.022 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.53 158.49 31.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 109.982 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 m 62.51 144.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.007 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.32 107.74 3.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.482 1.114 . . . . 0.0 110.956 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.5 p 178.32 141.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 109.997 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.69 -58.21 2.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.038 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.36 -98.32 0.23 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.454 1.097 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 57.9 97.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 0.766 . . . . 0.0 109.257 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -156.02 79.57 0.99 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 110.269 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -44.79 123.24 3.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.71 109.32 4.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.3 m -113.33 142.02 46.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.372 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -112.76 -41.44 3.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -160.94 126.05 3.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.618 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -51.17 128.45 21.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -110.47 92.82 4.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 110.335 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.16 148.58 0.75 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 144.63 30.63 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 111.035 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.401 ' HG3' HD11 ' A' ' 27' ' ' LEU . 4.9 tt0 179.92 175.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.435 ' O ' ' CB ' ' A' ' 23' ' ' GLU . . . 58.91 -157.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.7 p 38.77 -140.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.421 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.915 ' HA ' HD12 ' A' ' 25' ' ' ILE . . . -55.34 -29.92 59.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.435 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 1.1 tp10 -55.05 -46.74 75.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.239 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.47 -47.41 66.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.915 HD12 ' HA ' ' A' ' 22' ' ' ALA . 15.2 mt -50.72 -46.18 28.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.35 -34.91 68.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.567 ' O ' HD12 ' A' ' 31' ' ' ILE . 10.0 mt -63.89 -60.24 3.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.52 -18.52 19.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -84.8 -32.45 23.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.254 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -85.19 -39.53 17.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.567 HD12 ' O ' ' A' ' 27' ' ' LEU . 2.7 mt -61.56 -54.1 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.1 t -48.82 -48.99 41.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.02 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -47.4 -34.9 7.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -117.61 78.75 1.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 109.596 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -124.95 175.21 7.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -154.15 149.88 27.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.0 -41.38 34.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -52.09 -65.61 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.723 ' O ' HG23 ' A' ' 43' ' ' VAL . 48.5 t80 -57.15 -42.87 81.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -51.05 -58.88 4.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -51.94 -39.07 58.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.54 ' HD3' HG23 ' A' ' 68' ' ' VAL . 40.4 mttt -65.24 -48.71 72.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 39' ' ' PHE . 93.9 t -47.55 -51.98 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -57.09 -52.92 63.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.483 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.3 OUTLIER -47.53 -40.43 18.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.342 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.568 HD22 ' CD1' ' A' ' 75' ' ' LEU . 18.4 mt -62.78 -60.72 3.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.734 HD11 ' HA ' ' A' ' 54' ' ' GLN . 10.0 mt -48.07 -27.2 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.9 -35.22 20.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 45' ' ' GLN . 10.3 mt -81.97 -71.93 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.995 HG21 HD13 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -57.07 -83.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.422 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 133.85 -9.34 4.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -65.81 -177.97 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -78.73 156.53 28.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.734 ' HA ' HD11 ' A' ' 47' ' ' ILE . 26.7 tt0 -55.29 -62.61 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.495 ' O ' HD12 ' A' ' 59' ' ' ILE . 48.3 m-20 -40.18 -42.69 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.431 ' HA ' HD12 ' A' ' 59' ' ' ILE . 3.7 mm-40 -70.83 -48.07 56.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 5.6 m -57.05 -44.65 83.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 108.316 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.47 HG13 ' CE1' ' A' ' 39' ' ' PHE . 88.8 t -59.51 -47.31 91.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.495 HD12 ' O ' ' A' ' 55' ' ' ASP . 18.1 mt -59.73 -47.71 90.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.463 ' CB ' ' HG ' ' A' ' 75' ' ' LEU . . . -57.66 -67.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.532 HD21 ' CB ' ' A' ' 42' ' ' LYS . 12.4 tp -42.65 -57.95 2.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -53.31 -45.36 68.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.565 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -41.76 -51.17 4.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.364 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.435 ' SG ' ' CB ' ' A' ' 70' ' ' ARG . 11.8 t -71.2 -69.43 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 108.306 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.451 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 5.4 p-10 166.88 -31.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 151.94 44.2 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.17 108.9 13.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.54 HG23 ' HD3' ' A' ' 42' ' ' LYS . 3.0 t -55.58 -37.27 45.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -68.07 -64.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.435 ' CB ' ' SG ' ' A' ' 64' ' ' CYS . 8.0 mmt-85 -49.94 -45.77 51.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.507 ' HB2' ' HA ' ' A' ' 61' ' ' LEU . . . -54.34 -48.0 71.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 68' ' ' VAL . 16.5 mt -53.45 -44.86 56.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -58.43 -22.92 55.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.782 HG13 ' HA2' ' A' ' 78' ' ' GLY . 83.4 t -89.83 -51.14 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.995 HD13 HG21 ' A' ' 50' ' ' THR . 6.2 mt -52.17 -36.44 51.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.6 mt -80.33 -43.11 21.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -155.53 86.39 1.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.782 ' HA2' HG13 ' A' ' 74' ' ' VAL . . . -46.51 145.34 3.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -57.25 148.7 51.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 -59.26 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.494 1.787 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.428 ' C ' HG22 ' A' ' 82' ' ' THR . 1.5 t0 -127.68 -47.44 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.428 HG22 ' C ' ' A' ' 81' ' ' ASP . 2.8 t 40.92 54.29 3.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.436 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 65.49 153.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.627 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.11 159.17 43.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -97.91 159.22 15.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 108.021 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 65.16 163.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.76 82.92 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 43.2 t -144.32 101.95 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -104.85 -97.48 2.48 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 50.52 64.29 1.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.39 150.65 4.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.46 -64.1 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 44.81 73.46 0.27 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 20.0 m -135.29 136.8 50.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.44 -60.26 1.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.001 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.17 160.86 34.79 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -177.31 145.83 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 0.8 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -162.15 141.76 9.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.32 150.01 5.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.986 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -174.9 86.09 0.08 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.492 1.12 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 177.02 9.14 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.483 1.781 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.27 169.28 24.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.604 1.19 . . . . 0.0 109.961 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 52.7 p -156.43 167.33 30.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.993 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 t -84.45 161.01 20.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 0.0 110.006 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.6 p -166.78 140.6 3.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.987 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.88 167.03 34.41 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.467 1.105 . . . . 0.0 111.062 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 t 66.39 123.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.767 . . . . 0.0 110.024 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.26 129.58 55.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.027 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.22 107.57 0.28 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.534 1.147 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.5 m120 60.95 118.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 0.734 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -105.86 -25.95 11.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -76.96 -55.73 5.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -85.04 118.91 24.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -107.78 112.64 25.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.367 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.67 122.62 24.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 62.51 156.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.625 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.9 mttp 65.21 144.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 75.4 -61.98 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.0 148.66 1.13 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 110.328 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 171.07 19.02 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.773 . . . . 0.0 111.005 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -160.45 117.1 2.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 22' ' ' ALA . . . 58.32 177.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.1 m 63.59 -80.41 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.416 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.418 ' HA ' HD12 ' A' ' 25' ' ' ILE . . . -81.91 -42.46 19.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -53.27 -57.24 11.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 110.313 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -43.74 -52.77 6.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 22' ' ' ALA . 96.2 mt -44.12 -62.19 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 30' ' ' MET . 1.1 mtt-85 -57.27 -43.72 83.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.245 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.54 ' C ' HD12 ' A' ' 31' ' ' ILE . 10.3 mt -51.06 -62.75 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.12 -33.53 58.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 109.232 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -70.5 -34.32 72.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.253 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 26' ' ' ARG . 1.4 mtm -82.44 -39.23 22.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.54 HD12 ' C ' ' A' ' 27' ' ' LEU . 2.7 mt -59.83 -44.11 93.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.39 -54.52 30.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -42.28 -50.06 4.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -71.23 -76.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.578 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 53.66 89.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.485 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 8.3 t0 -83.8 156.82 22.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.15 -48.55 81.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -51.43 -66.69 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.472 ' HE2' HG13 ' A' ' 58' ' ' VAL . 60.9 t80 -56.62 -37.55 70.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.093 . . . . 0.0 111.009 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' A' ' 36' ' ' ASP . 4.7 mm-40 -56.95 -57.48 12.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.568 1.167 . . . . 0.0 110.333 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.97 -42.72 65.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.251 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.556 ' HB3' HG23 ' A' ' 68' ' ' VAL . 60.1 mttt -61.73 -53.1 60.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.454 ' CG2' ' CE2' ' A' ' 39' ' ' PHE . 11.5 t -45.89 -48.02 5.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 mtpp -61.21 -52.5 64.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.532 ' O ' HD12 ' A' ' 49' ' ' ILE . 1.6 mm-40 -49.44 -39.53 33.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.701 HD11 HD13 ' A' ' 61' ' ' LEU . 8.8 mt -62.37 -62.66 1.61 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.102 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.775 HD11 ' HA ' ' A' ' 54' ' ' GLN . 12.5 mt -46.69 -30.37 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.68 -37.21 27.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.532 HD12 ' O ' ' A' ' 45' ' ' GLN . 9.6 mt -79.64 -72.22 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.766 HG21 HD13 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -56.4 -83.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.395 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 133.83 -9.11 4.88 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -65.56 -170.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 0.749 . . . . 0.0 109.269 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -85.76 160.23 19.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.775 ' HA ' HD11 ' A' ' 47' ' ' ILE . 46.8 tt0 -57.79 -61.71 2.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.21 -48.14 2.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.237 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.454 ' HA ' HD12 ' A' ' 59' ' ' ILE . 1.5 mm-40 -62.71 -52.56 62.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.4 m -54.9 -47.71 73.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 108.325 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.472 HG13 ' HE2' ' A' ' 39' ' ' PHE . 96.5 t -56.01 -49.1 77.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 56' ' ' GLU . 18.6 mt -56.93 -50.19 76.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.87 -63.81 1.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.701 HD13 HD11 ' A' ' 46' ' ' LEU . 12.7 tp -43.22 -59.36 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.599 1.187 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.495 ' CE1' HD11 ' A' ' 31' ' ' ILE . 35.9 t60 -54.71 -61.75 2.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.601 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.46 -48.9 2.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 1.2 m -59.68 -64.46 0.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 108.308 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 3.5 m-20 156.49 -25.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 135.46 44.19 0.1 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.15 111.22 11.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 0.783 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.556 HG23 ' HB3' ' A' ' 42' ' ' LYS . 17.2 t -54.34 -39.93 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -61.58 -61.58 2.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.03 -49.25 51.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -52.83 -55.81 20.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.465 HG12 HG23 ' A' ' 50' ' ' THR . 19.5 mt -45.0 -52.18 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.09 -36.36 13.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 71' ' ' ALA . 48.2 t -82.06 -53.09 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.766 HD13 HG21 ' A' ' 50' ' ' THR . 14.7 mt -49.02 -57.78 5.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.426 HD12 HG22 ' A' ' 72' ' ' ILE . 42.2 mt -42.73 -60.39 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -123.35 -95.59 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 159.54 -113.97 0.59 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.9 p30 165.92 118.26 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.472 0.748 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -40.92 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.5 1.79 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.0 t0 175.54 93.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -147.29 148.06 31.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.355 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 57.99 163.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.563 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.3 93.13 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -148.98 154.15 38.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 107.957 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 61.16 162.03 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -153.02 92.49 1.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.501 ' O ' HG13 ' A' ' 88' ' ' VAL . 8.5 p -77.65 113.77 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -147.92 102.72 0.25 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.78 73.83 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -123.07 158.93 29.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -56.01 129.6 40.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.343 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.41 ' O ' HG22 ' A' ' 94' ' ' VAL . . . -139.25 -138.96 3.73 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.464 1.102 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 93' ' ' GLY . 6.6 m 41.1 -160.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.476 0.75 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 50.2 80.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.008 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -179.51 -138.68 3.38 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.11 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -175.09 100.68 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 0.763 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 56.04 77.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.586 1.179 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.48 129.64 54.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.029 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 145.95 -85.55 0.18 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 81.06 2.28 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.465 1.771 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.95 170.61 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.993 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.6 t -74.23 -53.99 8.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.551 1.157 . . . . 0.0 111.016 179.979 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 m -116.06 142.11 47.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.785 . . . . 0.0 109.976 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.3 p -162.06 143.23 10.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.032 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.64 144.97 4.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.137 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.43 89.11 7.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 0.766 . . . . 0.0 109.986 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.2 p -126.65 137.26 53.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.459 1.099 . . . . 0.0 110.045 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.36 73.13 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -62.02 135.02 57.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.766 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -111.45 93.49 4.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.261 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -93.78 92.38 7.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 39.4 78.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.4 t -164.48 150.88 10.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.373 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -114.49 83.05 1.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -145.12 117.48 8.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.557 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -136.95 -61.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 72.66 -59.75 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 60.06 154.83 0.1 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 147.82 34.43 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -148.26 64.36 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -168.53 178.73 4.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.258 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.8 m 62.58 -86.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.379 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.11 -48.31 10.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -52.89 -55.9 19.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -41.36 -57.73 2.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 74.6 mt -41.21 -57.51 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.27 -40.94 95.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.461 ' C ' HD12 ' A' ' 31' ' ' ILE . 10.4 mt -54.58 -64.42 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.45 -30.48 29.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -74.13 -33.68 63.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 38.2 mtp -83.14 -41.15 18.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.461 HD12 ' C ' ' A' ' 27' ' ' LEU . 2.8 mt -60.23 -42.42 90.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.3 t -53.79 -47.77 70.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -58.42 -41.33 84.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.359 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -114.14 71.83 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.597 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -115.67 148.54 39.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.5 166.94 10.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.364 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.44 -34.55 67.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -53.66 -66.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.43 1.081 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.653 ' CE1' ' CG2' ' A' ' 43' ' ' VAL . 63.8 t80 -54.8 -41.23 70.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -52.45 -58.76 5.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.91 -36.19 59.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.552 ' CB ' HD21 ' A' ' 61' ' ' LEU . 14.1 mttt -66.74 -55.01 16.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.653 ' CG2' ' CE1' ' A' ' 39' ' ' PHE . 71.9 t -45.63 -52.17 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -56.48 -50.74 70.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.492 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.4 OUTLIER -50.62 -39.21 49.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.271 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.558 HD22 ' CD1' ' A' ' 75' ' ' LEU . 10.3 mt -63.05 -63.08 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.926 HD11 ' HA ' ' A' ' 54' ' ' GLN . 12.5 mt -48.0 -27.67 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.39 -36.52 24.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.492 HD12 ' O ' ' A' ' 45' ' ' GLN . 10.9 mt -82.24 -72.2 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.693 HG21 HD13 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -57.76 -84.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 137.83 -10.88 3.67 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.13 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.783 ' HG3' HD22 ' A' ' 75' ' ' LEU . 17.4 mmtt -59.39 -171.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -91.25 154.34 19.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.165 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.926 ' HA ' HD11 ' A' ' 47' ' ' ILE . 14.9 tt0 -50.0 -62.52 1.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -41.05 -57.07 2.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.514 ' HA ' HD12 ' A' ' 59' ' ' ILE . 4.0 mm-40 -55.75 -53.97 50.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 68.8 m -52.13 -61.78 2.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 108.321 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.485 HG13 ' CE1' ' A' ' 39' ' ' PHE . 64.5 t -41.68 -49.47 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 56' ' ' GLU . 24.2 mt -56.86 -50.42 75.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.459 ' CB ' ' HG ' ' A' ' 75' ' ' LEU . . . -56.02 -62.35 1.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.552 HD21 ' CB ' ' A' ' 42' ' ' LYS . 12.6 tp -45.78 -59.61 2.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 63' ' ' ASP . 24.2 t60 -51.78 -47.66 64.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.635 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' HIS . 9.1 t0 -40.37 -51.53 2.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.546 1.153 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.467 ' SG ' ' CB ' ' A' ' 70' ' ' ARG . 46.3 t -70.45 -65.82 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 108.302 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.461 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 2.3 m-20 158.85 -27.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.86 44.54 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.444 ' HB3' ' CG ' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -125.52 95.84 4.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.475 HG23 ' HB3' ' A' ' 42' ' ' LYS . 3.0 t -44.39 -43.72 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.16 -60.83 3.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.467 ' CB ' ' SG ' ' A' ' 64' ' ' CYS . 19.8 mmt180 -51.6 -48.51 63.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.479 ' HB2' ' HA ' ' A' ' 61' ' ' LEU . . . -48.87 -53.32 19.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.46 HG12 HG23 ' A' ' 50' ' ' THR . 12.1 mt -46.43 -53.59 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -48.93 -31.57 7.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 71' ' ' ALA . 50.2 t -83.64 -53.97 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.783 HD22 ' HG3' ' A' ' 52' ' ' LYS . 4.6 mt -46.66 -57.81 4.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.407 HD12 HG22 ' A' ' 72' ' ' ILE . 19.9 mt -53.39 -64.62 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.08 -55.21 2.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -37.66 -60.19 1.24 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -161.04 146.01 10.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 109.246 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -39.42 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.412 1.743 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 83' ' ' HIS . 0.6 OUTLIER -158.69 -48.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.621 HG22 ' N ' ' A' ' 83' ' ' HIS . 0.9 OUTLIER 62.91 -78.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.438 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.621 ' N ' HG22 ' A' ' 82' ' ' THR . 3.6 t-80 -124.61 148.0 48.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.623 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.84 166.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.025 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.416 ' CD2' ' OD2' ' A' ' 81' ' ' ASP . 4.1 m95 -137.93 147.11 44.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 107.987 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -117.45 163.59 16.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 6.6 ttt -147.74 140.52 24.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.7 p -113.88 155.81 14.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -87.8 -131.43 3.54 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.76 -66.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.71 162.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -100.64 176.68 5.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -126.66 -152.0 7.95 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.3 p -59.63 161.21 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 109.328 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 86.9 p -177.67 102.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -176.01 179.94 46.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.117 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -173.91 164.17 4.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 0.763 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.86 142.0 5.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.142 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.8 p -115.18 170.72 8.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.994 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 140.37 85.31 0.1 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -56.55 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.551 1.816 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.2 m 179.64 171.13 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.48 104.93 2.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.97 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.559 1.162 . . . . 0.0 110.975 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.07 128.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 110.036 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.99 94.14 7.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.02 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.37 155.44 23.41 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -175.94 154.34 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 110.03 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.77 149.88 44.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.947 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.465 ' HA3' HG13 ' A' ' 88' ' ' VAL . . . -143.82 -141.19 3.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -116.45 162.26 17.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -47.89 157.73 0.26 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.483 1.115 . . . . 0.0 110.326 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -149.98 -51.63 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -53.88 149.65 8.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.2 p -129.99 145.2 51.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.421 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -114.85 124.0 50.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -146.06 -64.97 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.583 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.88 -31.26 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -108.99 140.38 42.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -48.16 106.6 0.62 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.308 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 163.11 36.01 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.491 1.785 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.67 103.99 2.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -175.95 -41.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.2 m -63.52 -101.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.409 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.2 -34.04 22.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -47.29 -49.78 23.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -49.03 -58.29 5.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.245 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 38.1 mt -42.12 -52.87 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -64.74 -39.05 92.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.462 ' O ' HD12 ' A' ' 31' ' ' ILE . 11.9 mt -59.39 -59.92 4.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.39 -20.36 29.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -84.61 -34.47 23.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 110.343 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.0 mtm -81.44 -42.28 20.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.462 HD12 ' O ' ' A' ' 27' ' ' LEU . 2.4 mt -58.72 -30.65 42.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.7 t -70.5 -39.79 73.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.978 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -75.41 -17.15 60.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -128.28 75.73 1.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.608 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -126.0 171.08 11.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -149.68 147.69 28.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.61 -33.61 4.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -56.49 -67.69 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.528 ' CE2' ' CG2' ' A' ' 43' ' ' VAL . 65.2 t80 -55.82 -40.53 72.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -53.86 -58.2 8.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.83 -37.16 50.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.675 ' HB3' HG23 ' A' ' 68' ' ' VAL . 51.8 mttt -67.94 -57.91 5.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.528 ' CG2' ' CE2' ' A' ' 39' ' ' PHE . 71.4 t -42.13 -45.74 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -63.98 -55.87 19.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.244 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.428 ' O ' HD12 ' A' ' 49' ' ' ILE . 0.9 OUTLIER -46.51 -38.38 9.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.729 ' HG ' HG22 ' A' ' 68' ' ' VAL . 10.7 mt -62.33 -61.74 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.868 HD11 ' HA ' ' A' ' 54' ' ' GLN . 27.9 mt -47.85 -27.77 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.44 -35.91 22.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 46' ' ' LEU . 11.6 mt -81.72 -72.16 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.734 HG21 HD13 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -56.86 -83.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.389 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 136.01 -11.09 4.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.117 . . . . 0.0 111.024 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -61.63 -170.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -89.33 156.74 18.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.868 ' HA ' HD11 ' A' ' 47' ' ' ILE . 26.5 tt0 -53.44 -61.75 2.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -40.04 -53.16 2.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.49 ' HA ' HD12 ' A' ' 59' ' ' ILE . 3.7 mm-40 -56.21 -54.06 49.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 65.0 m -54.71 -50.93 67.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 108.322 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 78.5 t -51.62 -31.57 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 56' ' ' GLU . 19.7 mt -80.66 -53.28 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.25 -52.79 50.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.51 HD13 HD11 ' A' ' 46' ' ' LEU . 7.5 tp -53.32 -61.51 2.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -50.79 -57.81 7.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.591 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -41.4 -52.03 3.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.467 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 1.1 m -58.9 -66.26 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 108.328 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 1.0 OUTLIER 159.2 -27.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.58 44.95 0.08 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.558 1.161 . . . . 0.0 111.055 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.17 110.71 10.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 0.778 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.729 HG22 ' HG ' ' A' ' 46' ' ' LEU . 2.9 t -52.23 -40.56 31.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -62.87 -62.16 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -49.07 -47.61 44.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.09 -53.33 54.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.645 HG12 HG23 ' A' ' 50' ' ' THR . 8.1 mt -47.03 -54.54 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -46.54 -29.74 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.8 t -88.45 -52.43 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.734 HD13 HG21 ' A' ' 50' ' ' THR . 10.2 mt -49.61 -54.08 20.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 62.1 mt -46.07 -58.83 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -126.43 -89.93 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.454 ' O ' ' CB ' ' A' ' 79' ' ' ASN . . . 155.94 116.52 0.54 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.136 . . . . 0.0 111.038 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.456 ' ND2' ' N ' ' A' ' 82' ' ' THR . 2.3 t30 78.26 138.13 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.767 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.417 ' HD2' ' ND2' ' A' ' 79' ' ' ASN . 18.3 Cg_endo -75.03 -52.12 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.438 1.757 . . . . 0.0 110.99 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -174.44 79.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.456 ' N ' ' ND2' ' A' ' 79' ' ' ASN . 10.7 t -51.69 146.16 8.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.401 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -52.85 -60.9 2.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.606 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 59.7 p -52.22 163.55 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -114.78 103.51 11.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 108.016 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -96.11 119.25 34.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.89 98.98 7.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.465 HG13 ' HA3' ' A' ' 7' ' ' GLY . 8.2 p -122.21 144.89 30.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -167.37 103.37 0.2 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 mptt 62.71 176.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.76 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.13 145.25 32.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.53 105.31 17.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -108.42 120.09 5.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.6 p -103.97 138.25 29.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.48 0.753 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.8 t -158.37 165.67 34.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.999 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.01 -148.63 0.17 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.129 . . . . 0.0 110.951 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -86.96 149.8 24.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 110.284 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 65.98 77.1 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.8 m -78.97 165.5 23.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -144.9 157.25 27.25 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 129.1 12.02 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.444 1.76 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 91.4 p -121.31 97.13 5.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.9 m -131.46 103.12 6.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.07 -58.47 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.75 . . . . 0.0 110.017 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 p -177.59 90.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.987 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.32 155.95 0.26 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.143 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.21 141.78 48.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 110.048 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.4 p -135.58 -58.65 0.77 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.85 139.25 3.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -104.16 167.83 9.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.79 113.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -114.81 -51.1 2.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 74.07 -65.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.1 t 40.84 45.46 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.66 -58.82 1.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.256 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -174.37 -62.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.612 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 mttt 63.19 86.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.4 -61.68 1.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 58.53 162.27 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 173.15 15.0 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.5 1.789 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.498 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 12.2 pt20 -132.83 113.68 13.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 19' ' ' GLN . . . 175.59 -36.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.0 p -96.05 -158.83 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.395 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -41.0 -37.63 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.56 -59.21 3.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.48 ' OE1' ' HB2' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -41.16 -55.39 2.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.2 mt -44.93 -60.62 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.79 -39.79 82.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.324 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.464 ' C ' HD12 ' A' ' 31' ' ' ILE . 10.3 mt -56.18 -66.41 0.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.48 ' HB2' ' OE1' ' A' ' 24' ' ' GLN . . . -48.75 -28.62 3.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -76.07 -34.67 59.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 27' ' ' LEU . 17.1 mtm -83.57 -42.91 16.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.464 HD12 ' C ' ' A' ' 27' ' ' LEU . 2.9 mt -56.18 -54.26 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.1 t -44.91 -58.04 3.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.966 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.75 -52.35 32.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -93.48 87.4 5.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.58 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -139.62 154.59 47.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.133 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.38 167.21 11.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.59 -47.18 76.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -45.88 -59.55 2.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.738 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 74.2 t80 -56.99 -40.86 77.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -55.17 -57.5 11.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 110.236 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.89 -33.07 55.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.641 ' HB3' HD21 ' A' ' 61' ' ' LEU . 35.5 mttt -71.72 -58.63 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.681 HG21 ' CE2' ' A' ' 39' ' ' PHE . 4.6 t -42.8 -54.43 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -53.88 -50.48 66.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.486 ' OE1' HD11 ' A' ' 49' ' ' ILE . 1.2 mm-40 -49.64 -41.37 42.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' THR . 15.5 mt -62.1 -60.07 4.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.614 HD11 ' HA ' ' A' ' 54' ' ' GLN . 16.6 mt -48.97 -24.83 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.83 -33.8 17.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.486 HD11 ' OE1' ' A' ' 45' ' ' GLN . 11.8 mt -83.97 -71.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.172 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.743 HG21 HD13 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -58.06 -83.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 132.61 -7.19 5.25 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.473 ' HG3' HD22 ' A' ' 75' ' ' LEU . 3.7 mmtp -65.85 -169.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -86.63 152.8 22.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.614 ' HA ' HD11 ' A' ' 47' ' ' ILE . 24.2 tt0 -54.92 -60.0 3.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' GLN . 23.8 m-20 -39.86 -57.39 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.814 ' HA ' HD12 ' A' ' 59' ' ' ILE . 2.5 mm-40 -57.46 -51.81 67.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 98.1 m -51.36 -49.35 61.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.738 HG13 ' CZ ' ' A' ' 39' ' ' PHE . 97.5 t -54.5 -46.69 71.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.814 HD12 ' HA ' ' A' ' 56' ' ' GLU . 45.6 mt -53.85 -54.6 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.61 -62.05 2.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.641 HD21 ' HB3' ' A' ' 42' ' ' LYS . 12.9 tp -47.56 -64.03 0.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -47.21 -50.81 20.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.613 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -56.27 -47.36 78.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 38.6 m -67.9 -19.87 65.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 108.293 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 64' ' ' CYS . 16.7 t30 82.03 62.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 59.77 41.17 97.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 71' ' ' ALA . 0.7 OUTLIER -113.49 107.91 16.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.714 ' O ' HD12 ' A' ' 72' ' ' ILE . 2.9 t -75.15 -37.09 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -67.04 -66.52 0.55 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.58 ' O ' HG23 ' A' ' 74' ' ' VAL . 7.9 mtt180 -48.47 -44.56 35.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 67' ' ' ASP . . . -55.72 -48.45 75.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.714 HD12 ' O ' ' A' ' 68' ' ' VAL . 8.8 mt -54.53 -32.87 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.29 -34.2 63.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 70' ' ' ARG . 41.0 t -77.44 -56.59 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.743 HD13 HG21 ' A' ' 50' ' ' THR . 8.0 mt -47.53 -52.57 17.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 42.0 mt -52.61 -65.94 0.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -42.94 -48.61 5.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -37.44 -69.3 0.31 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -74.42 133.33 77.58 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.51 0.771 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -33.43 4.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -173.69 86.32 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 48.2 m -154.77 68.79 0.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.373 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -131.56 60.37 1.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.598 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.9 t 67.26 163.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.96 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -95.61 147.46 23.56 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.39 171.22 12.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.61 114.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 91.2 t -126.08 -63.95 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 134.34 146.15 5.38 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.55 -66.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 0.74 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.56 172.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? 62.96 111.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 176.45 75.23 0.05 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.548 1.155 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 85.4 t 63.71 127.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 109.257 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 80.2 p -85.86 166.48 15.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 94.53 151.04 27.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -119.75 -60.94 1.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 44.21 78.02 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.45 165.17 24.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 175.59 90.41 0.08 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.561 1.163 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 89.01 1.19 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.499 1.789 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.0 m -66.43 -58.12 5.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.966 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -58.09 9.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.142 . . . . 0.0 109.956 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 -179.99 . . . . . . . . 0 0 . 1 stop_ save_